SCHEMBL8939079

SCHEMBL8939079

C=CC1CC=C(c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.32
GABRB2 P47870 3/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
ESR1 P03372 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL2216109 0.95 HTR2C (0.32) HTR2CHTR2B
SCHEMBL13378863 0.94 HTR2C (0.30) ESR1HTR2CHTR2B
SCHEMBL8939082 0.92 GABRA1 (0.39) GABRA1GABRB2HTR2CHTR2B
SCHEMBL8937978 0.92 NAAA (0.35) GABRA1GABRB2FGFR1FGFR2ESR1
SCHEMBL8939085 0.91 CNR2 (0.36) GABRA1GABRB2
SCHEMBL8939143 0.90 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8936530 0.90 NAAA (0.34) GABRA1GABRB2FGFR1FGFR2ESR1
SCHEMBL12718369 0.90 FFAR4 (0.33) GABRA1GABRB2FFAR4
SCHEMBL8939095 0.89 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL8939160 0.89 GABRA1 (0.36) GABRA1GABRB2

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-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 3958/4885FGFR1 601/4885

“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.