SCHEMBL542343

SCHEMBL542343

CCCc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 15/20 0.52
NR1H2 P55055 14/20 0.52
RORC P51449 2/20 0.45
PTPN1 P18031 1/20 0.44
PGR P06401 1/20 0.44
RORA P35398 1/20 0.44
RORB Q92753 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
SCHEMBL3980539 0.83 FFAR4 (0.52) NR1H3NR1H2RORCRORA
SCHEMBL542176 0.80 PTPN1 (0.40) NR1H3NR1H2PTPN1
SCHEMBL10249501 0.80 NR1H3 (0.64) NR1H3NR1H2
SCHEMBL3986776 0.79 MRGPRX4 (0.57) NR1H3NR1H2
SCHEMBL6702536 0.78 ELANE (0.52)
SCHEMBL16797594 0.77 HTR1A (0.53)
SCHEMBL17141510 0.76 RXRA (0.53) PTPN1
SCHEMBL17141539 0.76 HTR2C (0.54) PTPN1
SCHEMBL542360 0.75 NR1H3 (0.51) NR1H3NR1H2PGR
SCHEMBL17141753 0.75 HTR2C (0.53)

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 17 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
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 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
WO-2009144961-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER 興和株式会社 (JP) 2009-12-03 WO 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 NR1H3 2/4885NR1H2 1/4885RORC 9/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR NR1H3 2/4885NR1H2 1/4885RORC 33/4885

“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.