SCHEMBL542176

SCHEMBL542176

CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.40
MTNR1A P48039 3/20 0.39
NR1H3 Q13133 3/20 0.39
NR1H2 P55055 2/20 0.39
GAA P10253 1/20 0.38
PTPRC P08575 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPRB P23467 1/20 0.38
PTPN6 P29350 1/20 0.38
PTPN11 Q06124 1/20 0.38
ABCB1 P08183 3/20 0.38
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
MTNR1B P49286 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PPARA Q07869 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL1092085 0.87 NR1H2 (0.37) MTNR1ANR1H3NR1H2PPARGPPARD
SCHEMBL1092369 0.87 NR1H2 (0.36) PTPN1MTNR1ANR1H3NR1H2PPARG
SCHEMBL1091988 0.85 NR1H2 (0.38) PTPN1MTNR1ANR1H3NR1H2PPARG
SCHEMBL1091905 0.85 NR1H2 (0.36) MTNR1ANR1H3NR1H2ABCB1HTR1A
SCHEMBL1092527 0.85 PSEN1 (0.39) PTPN1MTNR1ANR1H3NR1H2PPARG
SCHEMBL1093400 0.85 NR1H2 (0.40) MTNR1ANR1H3NR1H2PPARGPPARD
SCHEMBL1092919 0.83 MEN1 (0.36) MTNR1ANR1H3NR1H2PPARG
SCHEMBL1253322 0.81 HTR2A (0.34) NR1H3NR1H2PPARDPPARA
SCHEMBL542343 0.80 NR1H3 (0.52) PTPN1NR1H3NR1H2
SCHEMBL542432 0.80 PPARG (0.44) NR1H3NR1H2PPARGPPARDPPARA

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 15 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
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 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
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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 (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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 PTPN1 3178/4885MTNR1A 578/4885NR1H3 2/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR PTPN1 3629/4885MTNR1A 990/4885NR1H3 2/4885

“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.