SCHEMBL717439

SCHEMBL717439

CCC(C)OP(=O)(O)C(Cc1ccc(F)cc1)c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
AGTR1 P30556 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.39
KMT2A Q03164 4/20 0.39
NPC1 O15118 3/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 2/20 0.39
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 3/20 0.37
KDM4E B2RXH2 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
KDR P35968 1/20 0.35

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
SCHEMBL717438 0.79 ALDH1A1 (0.43) ALDH1A1HPGDAGTR1HSD17B10CA12
SCHEMBL722135 0.71 TRPM8 (0.52) MAPT
SCHEMBL716713 0.71 TRPM8 (0.41) ALDH1A1HSD17B10KMT2AMEN1TSHR
SCHEMBL1961626 0.70 ALDH1A1 (0.39) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL717264 0.70 CMA1 (0.36) MAPT
SCHEMBL4633893 0.66 TRPA1 (0.40) ALDH1A1HPGDTSHR
SCHEMBL1832873 0.66 ALDH1A1 (0.40) ALDH1A1HPGDCA12KMT2AMEN1
SCHEMBL1837400 0.65 ACP3 (0.44) POLB
SCHEMBL719672 0.65 ALOX5 (0.35) GAA
SCHEMBL717440 0.65 ALDH1A1 (0.45) ALDH1A1HPGDAGTR1HSD17B10CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090639-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2015-07-28 US disclosed
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-04-10 US disclosed
US-8629281-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2014-01-14 US disclosed
US-8558011-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA, NV (BE) 2013-10-15 US disclosed
EP-2029614-B1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 EP disclosed
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS COLBURN RAYMOND W (US) 2012-07-19 US disclosed
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-01 US disclosed
US-7897781-B2 Cold menthol receptor-1 antagonists JANSSEN PHARMACEUTICA NV (BE) 2011-03-01 US disclosed
EP-2029614-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2009-03-04 EP disclosed
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US disclosed
US-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-01-31 US disclosed
WO-2007134107-A2 COLD MENTHOL RECEPTOR-1 ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-22 WO 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 (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-20080027029-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ALDH1A1 1372/4885HPGD 2243/4885AGTR1 398/4885
US-20120184510-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ALDH1A1 1372/4885HPGD 2243/4885AGTR1 398/4885
US-20120053347-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ALDH1A1 1372/4885HPGD 2243/4885AGTR1 398/4885
US-20080287398-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ALDH1A1 1372/4885HPGD 2243/4885AGTR1 398/4885
US-20140100194-A1 COLD MENTHOL RECEPTOR-1 ANTAGONISTS TRPM8, TRPM5, TRPM7 ALDH1A1 1372/4885HPGD 2243/4885AGTR1 398/4885

“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.