SCHEMBL11939933

SCHEMBL11939933

CC(O)c1ccc(C2CCC(COc3ccc(-c4ccc(C5CO5)c(F)c4F)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 9/20 0.40
▸ ACACA Q13085 2/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.35
▸ PARP10 Q53GL7 2/20 0.34
▸ PARP15 Q460N3 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ S1PR3 Q99500 1/20 0.34

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
SCHEMBL12907804 0.91 FFAR1 (0.41) FFAR1ACACAPARP10PARP15ACACB
SCHEMBL12836037 0.90 FFAR1 (0.37) FFAR1ACACAFFAR4PARP10PARP15
SCHEMBL12836492 0.87 FEN1 (0.34) —
SCHEMBL12836034 0.87 FEN1 (0.34) —
SCHEMBL12836499 0.85 FPR2 (0.33) FFAR1S1PR1
SCHEMBL12223313 0.84 ALOX5AP (0.33) —
SCHEMBL11939934 0.84 FFAR4 (0.35) FFAR1FFAR4
SCHEMBL12836555 0.83 PIM1 (0.34) FFAR4
SCHEMBL12907337 0.83 CNR2 (0.35) FFAR1
SCHEMBL11943435 0.83 PIM1 (0.34) —

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO 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 113/4885ACACA 1073/4885FFAR4 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.

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