SCHEMBL2528987

SCHEMBL2528987

COc1cccc(C=CC(=O)O)c1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.56
TRPM8 Q7Z2W7 3/20 0.55
KDM4E B2RXH2 1/20 0.53
PTGER4 P35408 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGER2 P43116 1/20 0.49
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
ALOX5 P09917 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAOB P27338 1/20 0.44
TFEB P19484 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL2528986 1.00 NFE2L2 (0.56) NFE2L2TRPM8KDM4EPTGER4PTGER3
SCHEMBL457033 0.82 NFE2L2 (0.79) NFE2L2TRPM8KDM4EKMT2AGAA
SCHEMBL1056670 0.82 NFE2L2 (0.79) NFE2L2TRPM8KDM4EKMT2AGAA
SCHEMBL6776487 0.82 NFE2L2 (0.79) NFE2L2TRPM8KDM4EKMT2AGAA
SCHEMBL636344 0.81 SRC (0.52) NFE2L2TRPM8KMT2ACYP1A2NPC1
SCHEMBL638265 0.80 SRC (0.51) NFE2L2TRPM8KDM4EKMT2AGAA
SCHEMBL7422566 0.80 NFE2L2 (0.56) NFE2L2TRPM8KDM4EKMT2ACYP1A1
SCHEMBL2433729 0.79 NFE2L2 (0.54) NFE2L2TRPM8KDM4EPTGER4PTGER3
SCHEMBL7358834 0.79 PRMT1 (0.69) NFE2L2TRPM8NPC1RAB9A
SCHEMBL2433728 0.79 NFE2L2 (0.54) NFE2L2TRPM8KDM4EPTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344010-B2 Fused imidazole derivatives as TRPV3 antagonist GLENMARK PHARMACEUTICALS S.A. (CH) 2013-01-01 US disclosed
US-20110257193-A1 FUSED IMIDAZOLE DERIVATIVES AS TRPV3 ANTAGONIST GLENMARK PHARMACEUTICALS, S.A. (CH) 2011-10-20 US disclosed
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 KALYPSYS, INC. (US) 2009-11-26 US disclosed
WO-2008006052-A2 BICYCLIC HETEROARYL INHIBITORS OF PDE4 GOVEK STEVEN P (US) 2008-01-10 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 (2 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-20110257193-A1 FUSED IMIDAZOLE DERIVATIVES AS TRPV3 ANTAGONIST TRPV3, TRPV1, TRPV2 NFE2L2 709/4885TRPM8 15/4885KDM4E 3411/4885
US-20090291950-A1 BICYCLIC HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C NFE2L2 917/4885TRPM8 4539/4885KDM4E 594/4885

“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.