SCHEMBL694507

SCHEMBL694507

Cc1[c]ccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
SLC6A4 P31645 1/20 0.39
MAOA P21397 1/20 0.38
ALOX5 P09917 1/20 0.37
ACMSD Q8TDX5 2/20 0.35
DHFR P00374 1/20 0.35
HNF4A P41235 1/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33

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
Trimethylammonium SCHEMBL27752496 0.94 ALDH1A1 (0.36) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL1939273 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7700046 0.83 GSTP1 (0.44) MAOAMCL1L3MBTL1HTTSMN1; SMN2
SCHEMBL7707293 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4ESMN1; SMN2MEN1
SCHEMBL9266009 0.83 ACHE (0.44) ALDH1A1SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL2154634 0.82 MCL1 (0.41) ALDH1A1MCL1KDM4ESMN1; SMN2MEN1
SCHEMBL2257746 0.79 ESR1 (0.47) ALDH1A1ALOX5ACMSDKDM4ESMN1; SMN2
SCHEMBL2012498 0.79 TAAR1 (0.46) GAATNKS2ESR2
SCHEMBL512419 0.78 ALOX5 (0.42) ALDH1A1ALOX5SMN1; SMN2MEN1LMNA
SCHEMBL5201647 0.78 ALDH1A1 (0.46) ALDH1A1DHFRKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108750-A Method for preparing homoallylsilane compound 中国科学院大连化学物理研究所 2024-05-31 CN claimed
CN-107428698-B Imidazolyl tricycloalkenones as antioxidant inflammation modulators 里亚塔医药公司 2021-10-26 CN claimed
US-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis INSERM (INSTITUT NATIONAL DE LA SANTÉ ET DE KA RECHERCHE MÉDICALE (FR) 2018-09-18 US claimed
CN-105218477-B A kind of polysubstituted benzo [b] [1,4] oxygen azatropylidene piperidine derivatives and preparation method thereof 华侨大学 2017-12-01 CN claimed
CN-102459167-B Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV 2015-04-01 CN claimed
EP-2421825-B9 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-08-20 EP claimed
US-8691805-B2 Azetidinyl diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2014-04-08 US claimed
EP-2421825-B1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-01-01 EP claimed
EP-2658580-A1 ARGINASE INHIBITORS AND METHODS OF USE THEREOF Corridor Pharmaceuticals, Inc. (US) 2013-11-06 EP claimed
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (US) 2013-09-19 US claimed
WO-2011056432-A2 CATALYST COMPOUNDS AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-05-12 WO claimed
US-20110098431-A1 Catalyst Compounds and Use Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-04-28 US claimed
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-30 US claimed
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US claimed
WO-2010124119-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP claimed
US-5763688-A HYDROGENATING A CARBONYL COMPOUND, RUTHENIUM-PHOSPHINE COMPLEX CATALYST, BASE, DIAMINE RESEARCH DEVELOPMENT CORPORATION OF JAPAN (JP) 1998-06-09 US claimed
US-5118704-A Treating disorders of central nervous, cardiovascular and endocrine systems WHITBY RESEARCH, INC. (US) 1992-06-02 US claimed
US-4898863-A Heterocyclic carboxamides ICI AMERICAS INC. (US) 1990-02-06 US claimed

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-10076517-B2 Methods and pharmaceutical compositions for the treatment of fibrosis LIPA, MGLL, PNLIP ALDH1A1 779/4885SLC22A2 2945/4885SLC22A1 2753/4885
US-20130244997-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885SLC22A2 2098/4885SLC22A1 1878/4885
US-20110098431-A1 Catalyst Compounds and Use Thereof PAM, AAAS, PAOX ALDH1A1 2448/4885SLC22A2 3987/4885SLC22A1 4166/4885
US-20100331300-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885SLC22A2 2098/4885SLC22A1 1878/4885
US-20100324014-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA ALDH1A1 364/4885SLC22A2 2098/4885SLC22A1 1878/4885

“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.