SCHEMBL840765

SCHEMBL840765

C=C(C(=O)OCC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.54
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
EPHX2 P34913 1/20 0.45
PPARG P37231 1/20 0.45
PTPN1 P18031 1/20 0.45
GSK3B P49841 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAOB P27338 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
XPO1 O14980 1/20 0.44
GPR35 Q9HC97 1/20 0.43
SRD5A2 P31213 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5059081 0.86 MAPT (0.55) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL859597 0.83 CES2 (0.60) NPSR1CES2CES1EPHX2PPARG
SCHEMBL28941998 0.82 NPSR1 (0.52) NPSR1CES2CES1EPHX2PPARG
SCHEMBL9299166 0.81 CES2 (0.52) CES2CES1EPHX2PTPN1GSK3B
SCHEMBL9141441 0.81 MAPT (0.54) NPSR1CES2CES1MAPTALDH1A1
SCHEMBL5086187 0.81 ALDH1A1 (0.50) CES2CES1GSK3BMAPTALDH1A1
SCHEMBL6718454 0.80 ALDH1A1 (0.53) MAPTALDH1A1SRD5A2MEN1KMT2A
SCHEMBL2491603 0.80 CA12 (0.61) MAPTALDH1A1MEN1KMT2A
SCHEMBL668192 0.80 CA12 (0.61) NPSR1CES2CES1MAPTKDM4E
SCHEMBL23332553 0.79 NPSR1 (0.52) NPSR1CES2CES1EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
EP-2331499-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-09-21 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-8324217-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 US disclosed
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS COLBURN RAYMOND W (US) 2012-05-31 US disclosed
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
US-20080269382-A1 Stabilization of Organic Materials BASF SE (DE) 2008-10-30 US disclosed
EP-1791901-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-06-06 EP disclosed
WO-2006024611-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 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 (3 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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 NPSR1 79/4885CES2 997/4885CES1 1074/4885
US-20120136006-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM6 NPSR1 79/4885CES2 997/4885CES1 1074/4885
US-20080269382-A1 Stabilization of Organic Materials LPO, PPOX, HMOX1 NPSR1 4014/4885CES2 3137/4885CES1 3089/4885

“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.