SCHEMBL1733533

SCHEMBL1733533

Oc1cc2[c]cccc2cc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.37
ALOX5 P09917 2/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
STAT3 P40763 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
DNMT1 P26358 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
MCL1 Q07820 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
DAO P14920 2/20 0.31
DDO Q99489 1/20 0.31
TYR P14679 1/20 0.31
AKR1B1 P15121 1/20 0.31
NQO2 P16083 1/20 0.31
GPR35 Q9HC97 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1734390 0.84 TSHR (0.38) ALDH1A1HPGDKDM4EDAONQO2
SCHEMBL756551 0.83 CYP2A6 (0.32)
SCHEMBL1921671 0.80 ALDH1A1 (0.32) ALDH1A1HPGDMAPT
SCHEMBL17044573 0.78
SCHEMBL1044235 0.78 ALDH1A1 (0.32) ALDH1A1HPGDCYP3A4MAPTALOX15
SCHEMBL18832 0.76 ALDH1A1 (0.36) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL1296866 0.76 CYP1A2 (0.48) ALDH1A1GAAMEN1KMT2ANQO2
SCHEMBL1090982 0.76 CYP1A2 (0.48) ALDH1A1MEN1KMT2AMCL1TYR
SCHEMBL25147 0.74 ALDH1A1 (0.39) ALDH1A1HPGDNQO2TP53CYP3A4
SCHEMBL15366695 0.74 ALDH1A1 (0.39) ALDH1A1HPGDNQO2TP53CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883916-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES Momentive Performance Materials GmbH (DE) 2021-09-29 EP claimed
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN claimed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US claimed
EP-1506166-B1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2011-11-16 EP claimed
WO-2011131712-A1 METAL HYBRID COMPOSITE CASTING Rheinisch-Westfälische Technische Hochschule Aachen (DE) 2011-10-27 WO claimed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US claimed
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 US claimed
US-20080027023-A1 Antiproliferative Compositions Comprising Aryl Substituted Xylopyranoside Derivatives GLUCOGENE MEDICAL HFM AB (SE) 2008-01-31 US claimed
EP-1765363-A2 NEW COMPOSITIONS GLUCOGENE MEDICAL HFM AB (SE) 2007-03-28 EP claimed
WO-2006006933-A2 ANTIPROLIFERATIVE COMPOSITIONS COMPRISING ARYL SUBSTITUTED XYLOPYRANOSIDE DERIVATIVES GLUCOGENE MEDICAL HFM AB (SE) 2006-01-19 WO claimed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US claimed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP claimed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US claimed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO claimed
JP-2003520819-A 2003-07-08 JP claimed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US claimed
EP-1251859-A1 NOVEL COMPOUNDS Xylogen AB (SE) 2002-10-30 EP claimed
WO-2001054702-A1 NOVEL COMPOUNDS XYLOGEN AB (SE) 2001-08-02 WO claimed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP claimed
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN disclosed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US disclosed
US-8569505-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, NV (BE) 2013-10-29 US disclosed
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2010-05-20 US disclosed
US-7678812-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR CODD ELLEN 2008-04-24 US disclosed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
US-6984647-B2 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-10 US disclosed
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction JANSSEN PHARMACEUTICA, N.V. (BE) 2005-08-25 US disclosed
EP-1506166-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 EP disclosed
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2003-12-25 US disclosed
WO-2003097586-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 WO disclosed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 US disclosed
EP-0229947-B1 NOVEL CRYSTALLINE SALTS OF ARYLOXY-PROPANOLAMINES, THEIR PREPARATION AND THEIR USE RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-03-13 EP disclosed
US-4849530-A Process for the preparation of crystalline salts or aryloxy-propanolamines RORER PHARMACEUTICAL CORPORATION (US) 1989-07-18 US disclosed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US disclosed
US-4767784-A DIPHENYLACETATES RORER PHARMACEUTICAL CORPORATION 1988-08-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030092637-A1 Novel compounds ENTPD5, G6PD, G6PC1 TRPM4 4279/4885ALOX5 1123/4885ALDH1A1 986/4885
US-20100125140-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 TRPM4 22/4885ALOX5 1710/4885ALDH1A1 1211/4885
US-20080097102-A1 AMINOTETRALIN-DERIVED UREA MODULATORS OF VANILLOID VR1 RECEPTOR UTS2R, TRPV1, GPR17 TRPM4 22/4885ALOX5 1710/4885ALDH1A1 1211/4885
US-20050187291-A1 use of 2-(urea or thiourea)tetralins as analgesic or to treat pulmonary dysfunction TMEM109, UTS2R, GPR17 TRPM4 30/4885ALOX5 2211/4885ALDH1A1 1133/4885
US-20080027023-A1 Antiproliferative Compositions Comprising Aryl Substituted Xylopyranoside Derivatives UGGT1, B3GAT3, MKI67 TRPM4 4854/4885ALOX5 3113/4885ALDH1A1 1972/4885
US-20030236280-A1 Aminotetralin-derived urea modulators of vanilloid VR1 receptor UTS2R, TRPV6, TRPV1 TRPM4 18/4885ALOX5 1593/4885ALDH1A1 1371/4885
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES PAH, CUTA, ASPH TRPM4 4752/4885ALOX5 1696/4885ALDH1A1 867/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.