SCHEMBL9106798

SCHEMBL9106798

CCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.48
LTA4H P09960 1/20 0.46
EPHX2 P34913 1/20 0.46
SOS1 Q07889 1/20 0.44
HSPB1 P04792 1/20 0.44
MAOB P27338 4/20 0.42
APP P05067 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CACNA1B Q00975 1/20 0.42
SCN4A P35499 1/20 0.42
IDO1 P14902 2/20 0.41
AGXT P21549 1/20 0.41
CYP2C19 P33261 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
SCHEMBL475215 0.88 SMN1; SMN2 (0.48) LMNALTA4HSMN1; SMN2ALDH1A1NPC1
SCHEMBL8925998 0.88 SMN1; SMN2 (0.48) LMNALTA4HSMN1; SMN2ALDH1A1NPC1
SCHEMBL13925528 0.85
SCHEMBL131869 0.85
Ammonia Solution, Strong SCHEMBL143304 0.83 LMNA (0.70) LMNAL3MBTL1ALDH1A1GAARAB9A
SCHEMBL12013124 0.83 LTA4H (0.51) LMNALTA4HEPHX2MAOBALDH1A1
SCHEMBL17450471 0.82 FFAR4 (0.43) LMNAL3MBTL1LTA4HEPHX2SOS1
SCHEMBL16933880 0.81 S1PR1 (0.46) LMNALTA4HMAOBSMN1; SMN2ALDH1A1
SCHEMBL20848358 0.81 MAOB (0.67) LMNAMAOBAPPNPC1RAB9A
SCHEMBL8429859 0.81 FDFT1 (0.46) LTA4HEPHX2MAOBSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020133123-A1 OXIME-TETRAZOLE DERIVATIVE AND APPLICATION THEREOF IN AGRICULTURE 东莞市东阳光农药研发有限公司 2020-07-02 WO disclosed
EP-3125884-B1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF UNIV MICHIGAN REGENTS (US) 2019-11-06 EP disclosed
WO-2018144900-A1 SMALL MOLECULE ANTAGONISTS OF SUMO RELATED MODIFICATION OF CRMP2 AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2018-08-09 WO disclosed
US-9394303-B2 Small molecule inhibitors of MCL-1 and uses thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-07-19 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
EP-2649053-B1 PYRIMIDINONE COMPOUNDS FOR USE IN THE TREATMENT OF DISEASES OR CONDITIONS MEDIATED BY LP-PLA2 GLAXO GROUP LTD (GB) 2015-11-04 EP disclosed
US-9174968-B2 Pyrimidinone compounds for use in the treatment of diseases or conditions mediated by LP-PLA2 GLAXO GROUP LIMITED (GB) 2015-11-03 US disclosed
WO-2015153959-A2 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-10-08 WO disclosed
US-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-08 US disclosed
US-9085587-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2015-07-21 US disclosed
US-20110118282-A1 Soluble Guanylate Cyclase Activators MERCK SHARP & DOHME LLC 2011-05-19 US disclosed
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES SHIONOGI & CO., LTD. (JP) 2010-11-11 US disclosed
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES SHIONOGI & CO., LTD. (JP) 2010-11-11 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK SHARP & DOHME CORP. 2009-08-20 US disclosed
US-20090143386-A1 Human adam-10 inhibitors EXELIXIS, INC. 2009-06-04 US disclosed
US-7498358-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma EXELIXIS, INC. (US) 2009-03-03 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (7 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-20150284387-A1 SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF MCL1, BCL2L1, API5 LMNA 2260/4885L3MBTL1 189/4885LTA4H 3825/4885
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES CSGALNACT1, OGT, GALNT1 LMNA 3861/4885L3MBTL1 1717/4885LTA4H 3885/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 LMNA 1700/4885L3MBTL1 1241/4885LTA4H 1842/4885
US-20090143386-A1 Human adam-10 inhibitors ADAM10, ADAM12, CASP10 LMNA 3464/4885L3MBTL1 2551/4885LTA4H 2318/4885
US-20110118282-A1 Soluble Guanylate Cyclase Activators GUCY1B1, GUCY1A2, GUCY1A1 LMNA 532/4885L3MBTL1 1253/4885LTA4H 1075/4885
US-20090209556-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS GUCY1B1, GUCY1A2, GUCY1A1 LMNA 532/4885L3MBTL1 1253/4885LTA4H 1075/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LMNA 320/4885L3MBTL1 1217/4885LTA4H 3219/4885

“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.