SCHEMBL14648804

SCHEMBL14648804

Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 16/20 0.45
ESR2 Q92731 13/20 0.45
KIF11 P52732 1/20 0.45
APP P05067 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL13156763 0.86 PDE3B (0.37)
SCHEMBL10091341 0.82 ESR2 (0.42) ESR1ESR2APPCYP3A4CYP2C9
SCHEMBL21771748 0.81 AKR1C3 (0.39)
SCHEMBL14074141 0.81 PDE3B (0.42) ESR1ESR2
SCHEMBL14648802 0.81 CYP11B1 (0.43) ESR2APPCYP2C19
SCHEMBL1513346 0.80 ESR2 (0.55) ESR1ESR2KIF11
SCHEMBL18069656 0.79 AKR1C3 (0.42)
SCHEMBL20012960 0.78 RARB (0.41)
SCHEMBL18069660 0.78 AKR1C3 (0.42) ESR1ESR2
SCHEMBL14172915 0.78 ESR2 (0.50) ESR1ESR2KIF11APPCYP3A4

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-8652353-B2 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2014-02-18 US disclosed
US-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy WOJSKOWA AKADEMIA TECHNICZNA (PL) 2013-01-24 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-20130020532-A1 Liquid crystal carbonate and liquid crystal medium containing the same with positive or negative dielectric anisotropy HCN2, HCN3, HCN1 ESR1 1357/4885ESR2 2206/4885KIF11 1613/4885

“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.