SCHEMBL542377

SCHEMBL542377

Oc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.51
NR1H3 Q13133 11/20 0.49
NR1H2 P55055 10/20 0.49
TSHR P16473 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
RORC P51449 1/20 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
SCHEMBL11601226 0.83 AR (0.54) ARNR1H3NR1H2TSHRHSD17B10
SCHEMBL7937259 0.82 ESR2 (0.50) ARNR1H3NR1H2TSHRHSD17B10
SCHEMBL29430111 0.81 PDE2A (0.53) TSHRHSD17B10MEN1KMT2ACA1
SCHEMBL225921 0.81 PDE2A (0.53) TSHRHSD17B10MEN1KMT2ACA1
SCHEMBL5388124 0.81 TSHR (0.50) ARNR1H3NR1H2TSHRHSD17B10
SCHEMBL17287088 0.81 ALOX15 (0.52) ARNR1H3NR1H2TSHRHSD17B10
Potassium SCHEMBL30520491 0.79 PDE2A (0.52) TSHRHSD17B10MEN1KMT2ACA1
Water SCHEMBL29058831 0.79 PDE2A (0.52) TSHRHSD17B10MEN1KMT2ACA1
SCHEMBL27487833 0.79 PDE2A (0.52) TSHRHSD17B10MEN1KMT2ACA1
SCHEMBL28426979 0.79 PDE2A (0.52) TSHRHSD17B10MEN1KMT2ACA1

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-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
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 AR 146/4885NR1H3 2/4885NR1H2 1/4885

“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.