SCHEMBL2902010

SCHEMBL2902010

O=C(Cl)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
TSHR P16473 2/20 0.54
ALOX15 P16050 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
MAP4K4 O95819 1/20 0.48
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
MAPK1 P28482 2/20 0.48
GSK3B P49841 2/20 0.48
SRD5A2 P31213 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL1854 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
SCHEMBL5757987 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
SCHEMBL1330271 0.92 CES2 (0.65) CES2CES1TSHRALOX15CA1
Hydrochloric Acid SCHEMBL5565187 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
Bromide SCHEMBL28583978 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
Ammonia Solution, Strong SCHEMBL28864885 0.90 CES2 (0.62) CES2CES1TSHRALOX15CA1
SCHEMBL727046 0.89 ALDH1A1 (0.52) CES2CES1TSHRCA1CA2
SCHEMBL10670934 0.89 ALDH1A1 (0.52) CES2CES1TSHRCA1CA2
SCHEMBL7349867 0.87 CES2 (0.59) CES2CES1TSHRALOX15CA1
Water SCHEMBL9342313 0.87 ALDH1A1 (0.50) CES2CES1TSHRCA1CA2

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
EP-3033352-A1 LINEAR PEPTIDE ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2016-06-22 EP disclosed
WO-2015023898-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. (US) 2015-02-19 WO disclosed
WO-2015023898-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. (US) 2015-02-19 WO disclosed
EP-1585515-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2005-10-19 EP disclosed
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders VTVX HOLDINGS II LLC 2005-05-19 US disclosed
WO-2004054973-A2 PIPERIDINE AND PYRROLIDINE DERIVATIVES AS ANTAGONISTS OF HISTAMINE H3 RECEPTOR NOVO NORDISK A/S (DK) 2004-07-01 WO disclosed
US-20020062043-A1 Process for preparing optionally substituted biphenylcarbonyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed
EP-1187818-A1 PESTICIDALLY ACTIVE TETRAZINE DERIVATIVES Syngenta Participations AG (CH) 2002-03-20 EP disclosed
WO-2000078739-A1 PESTICIDALLY ACTIVE TETRAZINE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2000-12-28 WO disclosed
US-6103860-A LOW DIELECTRIC CONSTANT, EXCELLENT TRANSPARENCY, LOW HYGROSCOPICITY AND EXCELLENT PROCESSABILITY; SUBSTRATE FOR AN OPTICAL DISK, A PICK-UP LENS, A PLASTIC SUBSTRATE FOR A LIQUID CELL AND A PRISM MITSUI CHEMICALS, INC. (JP) 2000-08-15 US disclosed
US-5990261-A Organic optical component MITSUI CHEMICALS, INC. (JP) 1999-11-23 US disclosed
EP-0826717-A1 An organic optical component MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1998-03-04 EP disclosed
US-4069224-A N-(PYRIDYLALKYL)BENZAMIDES, IMPROVE PRODUCTION OF PROSTAGLANDINS IN MAMMALS THE UPJOHN COMPANY (US) 1978-01-17 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 (5 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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT CES2 819/4885CES1 416/4885TSHR 4117/4885
US-20020062043-A1 Process for preparing optionally substituted biphenylcarbonyl chlorides OTC, DDT, ODC1 CES2 3000/4885CES1 2173/4885TSHR 3165/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT CES2 819/4885CES1 416/4885TSHR 4117/4885
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD CES2 2176/4885CES1 2257/4885TSHR 3678/4885
US-20050107434-A1 heterocyclic amines such as 1-Cyclopentyl-4-{2-[5-(4-methanesulfonylphenyl)[1,2,4]oxadiazol-3-yl]ethyl}piperidine and salts, used as histamine-H3 receptor antagonists for treatment of nervous system, cardiovascular , respiratory system, gastrointestinal system and endocrinological system disorders HRH4, HRH3, HRH2 CES2 1755/4885CES1 948/4885TSHR 220/4885

“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.