SCHEMBL11933340

SCHEMBL11933340

CCOc1ccc(-c2ccc(OCC3CC=C(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.35
PPARD Q03181 5/20 0.35
FFAR4 Q5NUL3 2/20 0.32
HMOX1 P09601 2/20 0.32
CCNT1 O60563 3/20 0.31
CDK9 P50750 3/20 0.31
PARP10 Q53GL7 2/20 0.31
PARP15 Q460N3 1/20 0.31
SCN9A Q15858 1/20 0.30
RORC P51449 1/20 0.30
P2RX7 Q99572 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
SCHEMBL15381777 0.95 PARP10 (0.34) FFAR1PPARDFFAR4CCNT1CDK9
SCHEMBL11933341 0.94 FFAR1 (0.34) FFAR1PPARDFFAR4HMOX1CCNT1
SCHEMBL11933342 0.94 FFAR1 (0.34) FFAR1PPARDFFAR4HMOX1CCNT1
SCHEMBL15381740 0.90 CRBN (0.32) FFAR1PPARDFFAR4HMOX1PARP10
SCHEMBL11933336 0.90 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11933191 0.90 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11933194 0.87 PDE5A (0.35) FFAR4CCNT1CDK9
SCHEMBL11939257 0.87 FFAR4 (0.35) FFAR1PPARDFFAR4CCNT1CDK9
SCHEMBL11933198 0.85 FFAR4 (0.33) FFAR1PPARDFFAR4CCNT1CDK9
SCHEMBL10302440 0.85 THRA (0.34) FFAR1PPARDFFAR4CCNT1CDK9

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-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 FFAR1 113/4885PPARD 1968/4885FFAR4 1038/4885

“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.