SCHEMBL68660

SCHEMBL68660

NCCc1cccc(O)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.68
HMGB1 P09429 1/20 0.58
IAPP P10997 4/20 0.55
HTR2C P28335 1/20 0.50
RECQL P46063 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ADAMTS4 O75173 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
LMNA P02545 1/20 0.48
FYN P06241 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
HPGD P15428 1/20 0.48
MMP8 P22894 1/20 0.48
CA6 P23280 1/20 0.48

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
SCHEMBL29531687 1.00 TAAR1 (0.68) TAAR1HMGB1IAPPHTR2CRECQL
Hydrochloric Acid SCHEMBL10880379 0.98 TAAR1 (0.65) TAAR1HMGB1IAPPHTR2CRECQL
SCHEMBL633288 0.87 TAAR1 (0.52) TAAR1HMGB1IAPPRECQLTDP1
SCHEMBL18469204 0.82 TAAR1 (0.68) TAAR1HMGB1HTR2CRECQLTDP1
SCHEMBL1427697 0.81 TAAR1 (1.00) TAAR1HTR2CRECQLTDP1MEN1
SCHEMBL10414030 0.81 IAPP (0.59) IAPPRECQLTDP1ALOX15HSD17B10
SCHEMBL366656 0.81 ADAMTS4 (0.52) TAAR1IAPPRECQLTDP1ALOX15
SCHEMBL29769908 0.81 TAAR1 (1.00) TAAR1HTR2CRECQLTDP1MEN1
SCHEMBL8680504 0.80 TAAR1 (0.65) TAAR1HMGB1HTR2CRECQLTDP1
SCHEMBL10762848 0.80 HMGB1 (0.56) TAAR1HMGB1HTR2CRECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107298873-B Preparation method of melanin 江南大学 2020-01-07 CN disclosed
CN-110436524-A A kind of zinc molybdate carbon composite nano ball and preparation method thereof UNIV SHAANXI SCIENCE & TECH 2019-11-12 CN disclosed
CN-109749115-A Hydrophilic polyurethane carrier and preparation method and application thereof 中国石油化工股份有限公司 2019-05-14 CN disclosed
US-9560848-B2 Method and compositions for biofouling deterrence CLEMSON UNIVERSITY (US) 2017-02-07 US disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-20130252848-A1 CELLOMICS SYSTEM KANAGAWA ACADEMY OF SCIENCE AND TECHNOLOGY (JP) 2013-09-26 US disclosed
WO-2013033270-A2 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2013-03-07 WO disclosed
CN-102774984-A Method for treating high-concentration ammonia nitrogen in chemical industrial wastewater UNIV CHANGZHOU 2012-11-14 CN disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
EP-1626278-A2 Cellomics system OnChip Cellomics Consortium (JP) 2006-02-15 EP disclosed
US-6998405-B2 Parkinson's and Huntington's disease; psychoses, impotence, renal or heart failure, schizophrenia H. LUNDBECK A/S (DK) 2006-02-14 US disclosed
EP-1274411-B1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE LUNDBECK & CO AS H (DK) 2005-07-27 EP disclosed
JP-2004323866-A METHOD FOR MANUFACTURING NICKEL POWDER, AND NICKEL POWDER MURATA MFG CO LTD 2004-11-18 JP disclosed
US-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use AXON BIOCHEMICALS B.V. (NL) 2004-07-15 US disclosed
US-6683087-B2 TREATMENT OF PARKINSON'S DISEASE, PSYCHOSES, HUNTINGTON'S DISEASE, IMPOTENCE, RENAL FAILURE, HEART FAILURE OR HYPERTENSION AXON BIOCHEMICALS B.V. (NL) 2004-01-27 US disclosed
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use H. LUNDBECK A/S (DK) 2003-05-08 US disclosed
EP-1274411-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE Axon Biochemicals B.V. (NL) 2003-01-15 EP disclosed
WO-2001078713-A1 PHENYLETHYLAMINES AND CONDENSED RINGS VARIANTS AS PRODRUGS OF CATECHOLAMINES, AND THEIR USE AXON BIOCHEMICALS B.V. (NL) 2001-10-25 WO disclosed
US-4313956-A Novel sypathomimetic amine prodrugs INTERX RESEARCH CORP. (US) 1982-02-02 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 (3 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-20040138281-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B TAAR1 169/4885HMGB1 3647/4885IAPP 569/4885
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 TAAR1 2423/4885HMGB1 418/4885IAPP 3074/4885
US-20030087948-A1 Phenylethylamines and condensed rings variants as prodrugs of catecholamines, and their use ADRA1D, ABCE1, ADRA1B TAAR1 165/4885HMGB1 3693/4885IAPP 570/4885

“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.