SCHEMBL6510993

SCHEMBL6510993

COc1cccc(C(C)C(=O)c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
TRPM8 Q7Z2W7 2/20 0.54
GPR139 Q6DWJ6 4/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
PTGS2 P35354 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.50
PARP1 P09874 1/20 0.50
NLRP3 Q96P20 1/20 0.50
CXCR1 P25024 1/20 0.50
CXCR2 P25025 1/20 0.50
RECQL P46063 1/20 0.50
MTNR1A P48039 1/20 0.50

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
SCHEMBL14347656 0.87 NPC1 (0.51) PTGS1TRPM8GPR139CES2CES1
SCHEMBL24054972 0.87 MEN1 (0.49) PTGS1CES2CES1NPC1RAB9A
SCHEMBL11538804 0.85 PTGS2 (0.70) PTGS1PTGS2MEN1KMT2AMAPT
SCHEMBL8622126 0.84 CES2 (0.61) TRPM8GPR139CES2CES1NPC1
SCHEMBL16781980 0.84 TDP1 (0.62) TRPM8GPR139CES2CES1NPC1
SCHEMBL361183 0.83 PTGS1 (0.73) PTGS1CES2CES1PTGS2MEN1
SCHEMBL10629616 0.83 PTGS1 (0.73) PTGS1CES2CES1PTGS2MEN1
SCHEMBL31635557 0.83 PTGS1 (0.73) PTGS1CES2CES1PTGS2MEN1
SCHEMBL15641441 0.83 PTGS1 (0.73) PTGS1CES2CES1PTGS2MEN1
SCHEMBL11754345 0.83 CES2 (0.51) TRPM8GPR139CES2CES1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016016414-A1 METHOD FOR CREATING UNCATALYZED CARBON-CARBON BONDS FROM CARBONYLATED COMPOUNDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S) (FR) 2016-02-04 WO disclosed
US-9243011-B2 Dialkyl(2-alkoxy-6-aminophenyl)phosphine, the preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2016-01-26 US disclosed
US-9243011-B2 Dialkyl(2-alkoxy-6-aminophenyl)phosphine, the preparation method and use thereof ZHEJIANG UNIVERSITY (CN) 2016-01-26 US disclosed
US-20140309422-A1 DIALKYL(2-ALKOXY-6-AMINOPHENYL)PHOSPHINE, THE PREPARATION METHOD AND USE THEREOF ZHEJIANG UNIVERSITY (CN) 2014-10-16 US disclosed
US-20140309422-A1 DIALKYL(2-ALKOXY-6-AMINOPHENYL)PHOSPHINE, THE PREPARATION METHOD AND USE THEREOF ZHEJIANG UNIVERSITY (CN) 2014-10-16 US disclosed
CN-101717408-B Phosphonium salt compound containing precursor of biphosphorus ylide cyclopentadienyl cyclocarbene as well as preparation method and application thereof UNIV LUOYANG NORMAL 2013-04-03 CN disclosed
CN-101717408-A Phosphonium salt compound containing precursor of biphosphorus ylide cyclopentadienyl cyclocarbene as well as preparation method and application thereof UNIV LUOYANG NORMAL 2010-06-02 CN disclosed
US-6867310-B1 Arylation and vinylation of activated carbons MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-03-15 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 (1 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-20140309422-A1 DIALKYL(2-ALKOXY-6-AMINOPHENYL)PHOSPHINE, THE PREPARATION METHOD AND USE THEREOF DCLK1, DCLK2, CILK1 PTGS1 4322/4885TRPM8 3366/4885GPR139 2022/4885

“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.