SCHEMBL3708329

SCHEMBL3708329

CCC(C)c1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
HTT P42858 3/20 0.43
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
CYP2C9 P11712 1/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
ATM Q13315 1/20 0.36
NISCH Q9Y2I1 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL29573338 1.00 TSHR (0.59) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL994607 0.83 TSHR (0.73) TSHRHTTGABRA1GABRB2KDM4E
SCHEMBL23730871 0.83 HTT (0.41) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL6681936 0.83 TSHR (0.50) TSHRHTTCYP2C19CYP3A4GABRA1
SCHEMBL10456467 0.82 HTT (0.43) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL13981277 0.81 TSHR (0.48) TSHRHTTALDH1A1CYP3A4GABRA1
SCHEMBL2401582 0.80 HTT (0.46) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL708904 0.80 HTT (0.42) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL5847586 0.80 TAAR1 (0.50) TSHRHTTCYP2C19ALDH1A1CYP3A4
SCHEMBL6680371 0.80 HTT (0.50) TSHRHTTCYP2C19ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104870594-B The heat fusing processability high refractive index adhesives of optical clarity 3M创新有限公司 2017-12-26 CN claimed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
CN-115010606-B Synthesis method and application of 2-sec-butyl-6-ethylaniline 中国农业大学 2024-01-23 CN disclosed
CN-115010606-A Synthesis method and application of 2-sec-butyl-6-ethylaniline 中国农业大学 2022-09-06 CN disclosed
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
CN-105619979-B The manufacturing method of heat resistance bonding sheet and functional membrane 琳得科株式会社 2019-11-12 CN disclosed
CN-104870594-B The heat fusing processability high refractive index adhesives of optical clarity 3M创新有限公司 2017-12-26 CN disclosed
CN-104583353-B Urea groups and polyurethanes based pressure-sensitive adhesive blend 3M创新有限公司 2017-10-13 CN disclosed
CN-103733096-B Polarizer LG化学株式会社 2017-06-23 CN disclosed
CN-103748487-B Polarizing plate LG化学株式会社 2017-05-17 CN disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
CN-101880409-A Efficient precipitation resistant flame retardant composition and preparation method thereof SHANGHAI MEILAIPO CHEMICALS CO LTD 2010-11-10 CN disclosed
CN-101880420-A Surface precipitation-free flame-retardant polypropylene compound and preparation method thereof SHANGHAI MEILAIPO CHEMICALS CO LTD 2010-11-10 CN disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2007050348-A2 POTASSIUM CHANNEL INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP 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 (2 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-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 TSHR 970/4885HTT 3156/4885CYP2C19 4354/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY TSHR 1656/4885HTT 3046/4885CYP2C19 497/4885

“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.