SCHEMBL542844

SCHEMBL542844

CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCCCC(C)OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
PPARG P37231 3/20 0.45
NR1H3 Q13133 16/20 0.40
NR1H2 P55055 15/20 0.40

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
SCHEMBL542442 0.87 PPARG (0.45) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL542432 0.79 PPARG (0.44) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL542176 0.73 PTPN1 (0.40) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL1092672 0.73 NR1H2 (0.48) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL1092409 0.72 PPARG (0.41) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL543104 0.72 NR1H3 (0.73) NR1H3NR1H2
SCHEMBL1092698 0.72 PPARD (0.36) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL1251375 0.72 PPARG (0.36) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL542620 0.72 ESR1 (0.40) PPARDPPARAPPARGNR1H3NR1H2
SCHEMBL1092044 0.71 PPARG (0.37) PPARDPPARAPPARGNR1H3NR1H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 PPARD 342/4885PPARA 183/4885PPARG 166/4885

“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.