SCHEMBL10301932

SCHEMBL10301932

C=CCCOc1ccc(-c2ccc(CCc3ccc(C)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.33
GABRA1 P14867 4/20 0.31
GABRB2 P47870 4/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CNR1 P21554 1/20 0.31
CHKA P35790 1/20 0.31
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL10301933 0.96 CNR2 (0.35) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12735599 0.92 FFAR4 (0.35) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12740118 0.92 FFAR4 (0.35) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL10301931 0.89 CTSS (0.37) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12738862 0.89 CNR2 (0.31) CNR2GABRA1GABRB2
SCHEMBL14766167 0.88 CNR2 (0.36) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL14766597 0.88 CNR2 (0.36) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12735607 0.88 CNR2 (0.35) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12740120 0.88 CNR2 (0.35) CNR2GABRA1GABRB2CTSLCTSS
SCHEMBL12738860 0.88 CYP11B1 (0.34) CNR2GABRA1GABRB2CNR1

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 2145/4885GABRA1 3899/4885GABRB2 4451/4885

“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.