SCHEMBL17356573

SCHEMBL17356573

CCCCCc1c(F)cc(-c2cc(F)c(F)c(F)c2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.36
RARB P10826 3/20 0.35
RARA P10276 1/20 0.35
RARG P13631 1/20 0.35
CYP19A1 P11511 1/20 0.34
ALOX5 P09917 5/20 0.33
SRC P12931 1/20 0.32
CD274 Q9NZQ7 1/20 0.31
CYP3A4 P08684 2/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TYR P14679 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL17356581 0.95 GCGR (0.36) GCGRRARBRARARARGCYP19A1
SCHEMBL17356565 0.80 CD274 (0.31) CD274
SCHEMBL17356586 0.80 GCGR (0.33) GCGRRARBRARARARGCYP19A1
SCHEMBL26033847 0.76 HTT (0.41) GCGRCYP19A1ALOX5MAPTTYR
SCHEMBL21118325 0.75 ALOX5 (0.41) GCGRCYP19A1ALOX5CYP3A4PTGS2
SCHEMBL17356622 0.74 RARB (0.56) RARBRARARARGCYP3A4PTGS2
SCHEMBL17356649 0.74 TYR (0.41) GCGRRARBRARARARGALOX5
SCHEMBL12880355 0.74 ALOX5 (0.43) GCGRRARBRARARARGALOX5
Acetic Acid SCHEMBL27851267 0.73 RARB (0.41) RARBRARARARGCYP19A1ALOX5
SCHEMBL21663934 0.72 ALOX5 (0.43) RARBRARARARGCYP19A1ALOX5

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-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2015-12-24 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-20150368272-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE YBX3, OCIAD1, PIEZO1 GCGR 2952/4885RARB 4066/4885RARA 3390/4885

“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.