SCHEMBL839613

SCHEMBL839613

COC(=O)C(Cc1ccccc1F)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LDHB P07195 9/20 0.52
LDHA P00338 8/20 0.52
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GPBAR1 Q8TDU6 1/20 0.42
KMT2A Q03164 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9290115 0.85 ESR1 (0.48) ESR1ESR2KMT2AALDH1A1LMNA
SCHEMBL839917 0.84 LDHA (0.48) LDHBLDHAEPHX2PPARGCNR2
SCHEMBL30410294 0.75 LDHB (0.61) LDHBLDHAPPARG
SCHEMBL11900963 0.74 KMT2A (0.50) KMT2APPARGALDH1A1LMNACYP3A4
SCHEMBL20341737 0.73 KMT2A (0.49) KMT2APPARGALDH1A1LMNACYP3A4
SCHEMBL5364018 0.73 LDHB (0.50) LDHBLDHAESR1ESR2NOS3
SCHEMBL840330 0.73 MAOB (0.45) LDHBLDHANOS3NOS1NOS2
SCHEMBL18075387 0.72 LDHB (0.49) LDHBLDHAESR1ESR2NOS3
SCHEMBL268273 0.72 KMT2A (0.48) KMT2APPARGALDH1A1LMNACYP3A4
SCHEMBL268274 0.72 KMT2A (0.48) KMT2APPARGALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331498-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 EP disclosed
EP-2331498-B1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2016-11-09 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-9096521-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-9096521-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2015-08-04 US disclosed
US-20140128428-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-05-08 US disclosed
US-20140128428-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA, NV (BE) 2014-05-08 US disclosed
US-8653099-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA (BE) 2014-02-18 US disclosed
US-8653099-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA (BE) 2014-02-18 US disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021878-A1 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021882-A2 COLD MENTHOL RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 WO disclosed
WO-2010021882-A2 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-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 US disclosed
US-20100048619-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 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 (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 LDHB 832/4885LDHA 999/4885ESR1 1424/4885
US-20140128428-A1 COLD MENTHOL RECEPTOR ANTAGONISTS TRPV1, TRPM2, TRPM5 LDHB 1181/4885LDHA 798/4885ESR1 1123/4885
US-20100048619-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM5 LDHB 1189/4885LDHA 805/4885ESR1 1147/4885

“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.