SCHEMBL14673758

SCHEMBL14673758

O=C(O)/C=C/c1ccc(OC(F)(F)c2ccc(CC(F)(F)F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ ESR1 P03372 8/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ CYP1A1 P04798 2/20 0.40
▸ CYP1B1 Q16678 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ SRD5A2 P31213 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ AKR1B10 O60218 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TYR P14679 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ CA4 P22748 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
SCHEMBL14674303 1.00 THRB (0.46) THRBATMESR1PPARDPPARA
SCHEMBL14673759 1.00 THRB (0.46) THRBATMESR1PPARDPPARA
SCHEMBL14674304 1.00 THRB (0.46) THRBATMESR1PPARDPPARA
SCHEMBL14674544 0.89 THRB (0.44) THRBATMESR1PPARDPPARA
SCHEMBL14673813 0.89 THRB (0.44) THRBATMESR1PPARDPPARA
SCHEMBL14673814 0.89 THRB (0.44) THRBATMESR1PPARDPPARA
SCHEMBL14674543 0.89 THRB (0.44) THRBATMESR1PPARDPPARA
SCHEMBL14674549 0.86 PPARA (0.43) THRBATMESR1PPARDPPARA
SCHEMBL14674350 0.86 PPARA (0.43) THRBATMESR1PPARDPPARA
SCHEMBL14674550 0.86 PPARA (0.43) THRBATMESR1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9097938-B2 Photoaligning material ROLIC AG (CH) 2015-08-04 — — US disclosed
US-20130035446-A1 PHOTOALIGNING MATERIAL ROLIC AG (CH) 2013-02-07 — — US 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-20130035446-A1 PHOTOALIGNING MATERIAL MAP1LC3C, MAP1LC3A, LCP1 THRB 4824/4885ATM 2058/4885ESR1 1031/4885

“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.

Send feedback