SCHEMBL1091763

SCHEMBL1091763

C=Cc1ccc(Oc2ccc(C(OCOC)(C(F)(F)F)C(F)(F)F)cc2CCC)cc1COC

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.34
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
NR1H3 Q13133 9/20 0.33
AR P10275 1/20 0.32
HTR2A P28223 2/20 0.31
SLC6A4 P31645 2/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL1091731 0.90 NR1H2 (0.38) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1091903 0.90 NR1H2 (0.39) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092106 0.88 NR1H2 (0.36) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092341 0.86 AR (0.43) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092571 0.85 NR1H2 (0.36) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092208 0.85 NR1H2 (0.37) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092527 0.85 PSEN1 (0.39) NR1H2PPARGNR1H3
SCHEMBL1092017 0.84 NR1H2 (0.38) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1092514 0.83 NR1H2 (0.37) NR1H2PPARGPPARDPPARANR1H3
SCHEMBL1093300 0.81 NR1H2 (0.36) NR1H2PPARGPPARDPPARANR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 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 (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-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NR1H2 1/4885PPARG 384/4885PPARD 708/4885

“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.