SCHEMBL3823697

SCHEMBL3823697

Clc1cccc(OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.69
RXRB P28702 2/20 0.69
RXRG P48443 2/20 0.69
MAOB P27338 7/20 0.62
NR4A2 P43354 3/20 0.62
NPC1 O15118 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 1/20 0.59
CYP4F2 P78329 1/20 0.59
CYP4A11 Q02928 1/20 0.59
BCHE P06276 1/20 0.59
MAOA P21397 2/20 0.57
ALOX5 P09917 1/20 0.56
POLB P06746 1/20 0.55

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
Methyl Alcohol SCHEMBL27542849 0.95 RXRA (0.68) RXRARXRBRXRGMAOBNR4A2
SCHEMBL27858340 0.92 RXRA (0.64) RXRARXRBRXRGMAOBNR4A2
SCHEMBL11959143 0.89 MAOB (0.72) RXRARXRBRXRGMAOBNR4A2
SCHEMBL1268719 0.86 MAOB (0.81) MAOBNR4A2CYP1A2CYP2C19CYP4F2
SCHEMBL6355348 0.85 CTSV (0.58) RXRARXRBRXRGMAOBNR4A2
SCHEMBL27676289 0.85 RXRA (0.69) RXRARXRBRXRGMAOBNR4A2
SCHEMBL1842452 0.84 MEN1 (0.59) RXRARXRBRXRGMAOBCYP1A2
SCHEMBL4933216 0.84 MRGPRX4 (0.63) RXRARXRBRXRGMAOBCYP1A2
Methyl Alcohol SCHEMBL9626623 0.84 RXRA (0.68) RXRARXRBRXRGMAOBNR4A2
SCHEMBL21944885 0.84 NR4A2 (0.61) RXRARXRBRXRGMAOBNR4A2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080710-A Meta-hydroxylamine bitartrate impurity, synthesis method and application 上海现代哈森(商丘)药业有限公司 2024-12-06 CN claimed
CN-119080710-A Meta-hydroxylamine bitartrate impurity, synthesis method and application 上海现代哈森(商丘)药业有限公司 2024-12-06 CN disclosed
CN-112041165-A Additive manufacturing using photothermal dyes for high efficiency sintering 株式会社理光 2020-12-04 CN disclosed
CN-101432277-B Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2013-12-25 CN disclosed
CN-101454310-B Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2013-07-17 CN disclosed
CN-101426780-B Cyclohexylimidazole lactam derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI 2013-06-26 CN disclosed
WO-2012073249-A1 A NOVEL PROCESS FOR THE PREPARATION OF 3-(BENZYLOXY)- BENZENETHIOL, A KEY INTERMEDIATE FOR THE PREPARATION OF PHARMACEUTICAL DRUGS. ARCH PHARMALABS LIMITED (IN) 2012-06-07 WO disclosed
CN-101432265-B Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 ELI LILLY AND CO. (US) 2011-12-14 CN disclosed
WO-2009109648-A1 PROCESS FOR PREPARING COMPOUNDS CONTAINING A HYDRONAPHTALENE STRUCTURE WITH AN UNSYMMETRICALLY SUBSTITUTED BENZENE RING SOLVIAS AG (CH) 2009-09-11 WO disclosed
EP-2098511-A1 Process for preparing compounds containing a hydronaphtalene structure with an unsymmetrically substituted benzene ring Solvias AG (CH) 2009-09-09 EP disclosed
US-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS BONFANTI JEAN-FRANCOIS 2009-09-03 US disclosed
CN-101454310-A Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI (US) 2009-06-10 CN disclosed
CN-101432265-A Inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 LILLY CO ELI (US) 2009-05-13 CN disclosed
EP-2044038-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF Cornerstone Therapeutics Inc. (US) 2009-04-08 EP disclosed
WO-2007146066-A2 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CRITICAL THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 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-20090221559-A1 BENZODIAZEPINES AS HCV INHIBITORS GABRA5, GABRA4, GABRA3 RXRA 502/4885RXRB 310/4885RXRG 569/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 RXRA 385/4885RXRB 442/4885RXRG 143/4885

“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.