SCHEMBL8943538

SCHEMBL8943538

C=CCCOc1ccc(-c2ccc(-c3ccc(C4CCC(CCCC)CO4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL8943187 0.94 GABRA1 (0.31) GABRA1GABRB2CNR2
SCHEMBL8943256 0.94 CNR2 (0.33) GABRA1GABRB2CNR2
SCHEMBL8943274 0.93 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL8942976 0.92 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL8942973 0.92 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL8942983 0.92 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL8943074 0.92 GABRA1 (0.33) GABRA1GABRB2CNR2
SCHEMBL8943420 0.91 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8942560 0.90 FPR2 (0.32)
SCHEMBL8942593 0.90 CHRM2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 GABRA1 3442/4885GABRB2 3958/4885CNR2 2017/4885

“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.