SCHEMBL3790563

SCHEMBL3790563

CCc1ccc(Cl)c(CC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41

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
SCHEMBL14601105 0.85 TRPA1 (0.39) TRPA1L3MBTL1CYP1A2CYP2A6ALDH1A1
SCHEMBL30707413 0.85 TRPA1 (0.43) TRPA1CYP1A2CYP2A6LMNAMAPK1
SCHEMBL321279 0.85 TRPA1 (0.43) TRPA1CYP1A2CYP2A6LMNAMAPK1
SCHEMBL31460200 0.85 CYP4F2 (0.44) TRPA1L3MBTL1CYP1A2CYP2A6ALDH1A1
SCHEMBL20059251 0.85 TRPA1 (0.39) TRPA1CYP1A2CYP2A6NPC1MAPT
SCHEMBL16258888 0.85 TRPA1 (0.39) TRPA1L3MBTL1CYP1A2CYP2A6ALDH1A1
SCHEMBL13179975 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL3759408 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL5847395 0.85 CSNK2A1 (0.57) L3MBTL1CYP2A6GRIN2DGRIN3BGRIN1
SCHEMBL5847393 0.85 L3MBTL1 (0.39) L3MBTL1ALDH1A1LMNAMAPK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1706811-A Prepn process of 4,4'-methylene-bis(3-chloro-2,6-diethyl aniline) (MCDEA) LU JINXIAN (CN) 2005-12-14 CN claimed
US-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 GAIN THERAPEUTICS SA (CH) 2023-05-04 US disclosed
WO-2021158464-A1 REVERSE AMIDE-LINKED MELANOCORTIN RECEPTOR-SPECIFIC CYCLIC PEPTIDES PALATIN TECHNOLOGIES, INC. (US) 2021-08-12 WO disclosed
EP-2240452-B1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-AMINE DERIVATIVES AS PI3 KINASE MODULATORS, THEIR COMPOSITIONS AND USES INTELLIKINE LLC (US) 2019-05-29 EP disclosed
WO-2017162390-A1 BENZENESULFONYL-ASYMMETRIC UREAS AND MEDICAL USES THEREOF HELSINN HEALTHCARE SA (CH) 2017-09-28 WO disclosed
EP-2440572-B1 LACTAM-BRIDGED MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDES PALATIN TECHNOLOGIES INC (US) 2017-04-05 EP disclosed
CN-101328144-B Method for synthesizing indoline and derivates thereof NINGBO INST TECH ZHEJIANG UNIV 2011-01-19 CN disclosed
WO-2010074088-A1 CYCLIC AMINE COMPOUNDS 第一三共株式会社 (JP) 2010-07-01 WO disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
CN-101328144-A Method for synthesizing indoline and derivates thereof NINGBO INST TECH ZHEJIANG UNIV (CN) 2008-12-24 CN disclosed
EP-0945448-B1 5-ALKOXY-2(3H)-OXAZOLONE COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF UBE INDUSTRIES (JP) 2008-11-26 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-1081122-B1 Method for isomerizing halogenated ethylbenzene TORAY INDUSTRIES (JP) 2002-11-20 EP disclosed
US-6235952-B1 ISOMERIZATION OF HALOGENATED ETHYLBENZENE USING ACIDIC ZEOLITE WITH METAL FROM GROUP 7 TO 11 TORAY INDUSTRIES, INC. (JP) 2001-05-22 US disclosed
EP-1081122-A1 Method for isomerizing halogenated ethylbenzene TORAY INDUSTRIES, INC. (JP) 2001-03-07 EP disclosed
EP-0894782-A1 METHOD FOR ISOMERIZING HALOGENATED ETHYLBENZENE AND METHOD FOR SEPARATING HALOGENATED ETHYLBENZENE ISOMERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 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-20230140216-A1 COMBINATION THERAPY FOR TREATING MPS1 IDUA, MAN2B1, GBA1 TRPA1 4690/4885L3MBTL1 138/4885CYP1A2 1487/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TRPA1 762/4885L3MBTL1 3838/4885CYP1A2 170/4885

“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.