SCHEMBL6096516

SCHEMBL6096516

Cc1c(CC(=O)O)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.52
RXRB P28702 8/20 0.52
RXRG P48443 8/20 0.52
AGBL2 Q5U5Z8 1/20 0.46
POLQ O75417 2/20 0.42
PTGDR2 Q9Y5Y4 4/20 0.41
PTGS1 P23219 1/20 0.40
GPR17 Q13304 1/20 0.39
CES2 O00748 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38

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
SCHEMBL30428720 0.82 RXRA (0.42) RXRARXRBRXRGAGBL2PTGDR2
SCHEMBL29009958 0.82 RXRA (0.42) RXRARXRBRXRGAGBL2PTGDR2
SCHEMBL8462688 0.78 RXRA (0.43) RXRARXRBRXRGAGBL2POLQ
SCHEMBL8464813 0.78 RXRA (0.43) RXRARXRBRXRGAGBL2POLQ
SCHEMBL5574328 0.76 CES2 (0.53) RXRARXRBRXRGAGBL2POLQ
SCHEMBL3741058 0.76 POLQ (0.61) RXRARXRBRXRGPOLQPTGDR2
SCHEMBL30716953 0.76 POLQ (0.61) RXRARXRBRXRGPOLQPTGDR2
SCHEMBL19011781 0.75 CACNA1H (0.36) POLQCES2
SCHEMBL6673482 0.75 POLQ (0.41) RXRARXRBRXRGPOLQ
SCHEMBL20575945 0.75 RXRA (0.57) RXRARXRBRXRGAGBL2POLQ

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-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 US disclosed
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 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 (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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A RXRA 908/4885RXRB 641/4885RXRG 1356/4885

“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.