SCHEMBL10301836

SCHEMBL10301836

CCCCCc1ccc(/C=C/C2CCC(c3ccc(OCC)cc3F)CC2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 11/20 0.33
▸ CNR1 P21554 4/20 0.33
▸ TSHR P16473 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL10301835 0.93 CAMKK1 (0.30) MEN1KMT2A
SCHEMBL10301833 0.91 HTR2A (0.35) CNR2CNR1TSHR
SCHEMBL10301834 0.89 CAMKK1 (0.33) MEN1ALDH1A1KMT2A
SCHEMBL10301840 0.87 CAMKK1 (0.33) —
SCHEMBL12734152 0.86 OPRL1 (0.32) MEN1KMT2A
SCHEMBL12734334 0.86 FFAR4 (0.35) —
SCHEMBL10301782 0.85 ACE2 (0.30) —
SCHEMBL10301838 0.85 CHRNB2 (0.32) —
SCHEMBL14766092 0.85 CRBN (0.31) MEN1KMT2A
SCHEMBL10301837 0.84 CHRNB2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 — — US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 — — 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-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CNR2 2145/4885CNR1 1338/4885TSHR 2276/4885

“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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