SCHEMBL542378

SCHEMBL542378

Oc1ccc([C](F)C(F)(F)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA3 P07451 2/20 0.42
TYR P14679 2/20 0.42
CA4 P22748 2/20 0.42
CA5A P35218 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
DRD1 P21728 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL2174033 0.68 CES1 (0.62) ESR1ESR2MAPTHTTLMNA
SCHEMBL17288654 0.68 MAPT (0.53) ESR1ESR2MAPTHTTLMNA
Perflutren SCHEMBL8603202 0.68 ESR1 (0.57) ESR1ESR2MAPTLMNAHPGD
SCHEMBL22747952 0.68 MAPT (0.53) ESR1ESR2MAPTHTTLMNA
SCHEMBL28376070 0.67 ESR1 (0.40) ESR1ESR2MAPTHTTLMNA
Hydroquinone SCHEMBL3191616 0.66 ALOX15 (0.73) ESR1ESR2MAPTHTTLMNA
SCHEMBL27641076 0.64 MAPT (0.60) ESR1ESR2MAPTHTTLMNA
Hydroquinone SCHEMBL27638163 0.64 CA2 (0.50) ESR1ESR2MAPTHTTLMNA
SCHEMBL11432823 0.64 MAPT (0.47) ESR1ESR2MAPTHTTLMNA
SCHEMBL685624 0.63 MAPT (0.52) ESR1ESR2MAPTHTTLMNA

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 7 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-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-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-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 ESR1 1176/4885ESR2 500/4885MAPT 1116/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR ESR1 1307/4885ESR2 614/4885MAPT 1455/4885

“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.