SCHEMBL17524844

SCHEMBL17524844

CCCOc1ccc(-c2ccc(CC/C=C/C3CCC(C4CCC(C)CC4)CC3)cc2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL17524823 0.95 S1PR1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL17522327 0.93 FFAR4 (0.37) FFAR4
SCHEMBL17522321 0.91 GABRA1 (0.33) GABRA1GABRB2FFAR4
SCHEMBL11953527 0.90 FFAR4 (0.39) GABRA1GABRB2FFAR4
SCHEMBL13235452 0.89 GABRA1 (0.32) GABRA1GABRB2FFAR4
SCHEMBL17522320 0.88 GABRA1 (0.32) GABRA1GABRB2FFAR4
SCHEMBL17524804 0.88 FFAR4 (0.35) FFAR4
SCHEMBL17524763 0.87
SCHEMBL17522317 0.86 S1PR1 (0.33) FFAR4
SCHEMBL11953736 0.86 GABRA1 (0.34) GABRA1GABRB2FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160040067-A1 LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-11 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-20160040067-A1 LIQUID CRYSTAL COMPOUND HAVING BUTENE-BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, PIEZO1, L1CAM GABRA1 2442/4885GABRB2 3351/4885FFAR4 2625/4885

“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.