SCHEMBL13579239

SCHEMBL13579239

C=CC1CCC(c2ccc(-c3ccc(OCCC)c(F)c3F)cc2)CO1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.40
GABRB2 P47870 2/20 0.40
FPR2 P25090 15/20 0.36
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
HTR2A P28223 1/20 0.32
CNR2 P34972 1/20 0.31
PDE4B Q07343 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
SCHEMBL13579455 0.99 GABRA1 (0.39) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579335 0.99 GABRA1 (0.39) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579245 0.95 CNR2 (0.37) GABRA1GABRB2FPR2CNR2PDE4B
SCHEMBL8944426 0.93 GABRA1 (0.39) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579235 0.93 FPR2 (0.36) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579439 0.92 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579327 0.92 GABRA1 (0.38) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579331 0.92 FPR2 (0.35) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL12023966 0.92 FPR2 (0.35) GABRA1GABRB2FPR2HTR2CHTR2B
SCHEMBL13579447 0.91 GABRA1 (0.37) GABRA1GABRB2FPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372306-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-12 US disclosed
US-8372306-B2 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2013-02-12 US disclosed
US-20090324854-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-31 US disclosed
US-20090324854-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-31 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-20090324854-A1 LIQUID CRYSTAL COMPOUND HAVING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CTNND1, YWHAZ, OCIAD2 GABRA1 3208/4885GABRB2 3377/4885FPR2 2669/4885

“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.