SCHEMBL10301922

SCHEMBL10301922

C=Cc1ccc(CCc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.36
▸ GABRB2 P47870 3/20 0.36
▸ CTSL P07711 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ FGFR2 P21802 2/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ CHKA P35790 1/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ RET P07949 1/20 0.31
▸ CNR2 P34972 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
SCHEMBL12740096 0.89 GABRA1 (0.37) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12717005 0.89 GABRA1 (0.37) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL1243473 0.89 FFAR4 (0.40) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10301923 0.88 CTSL (0.35) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10303361 0.88 FGFR2 (0.40) GABRA1GABRB2FFAR4FGFR2FGFR1
SCHEMBL12836822 0.86 FGFR2 (0.39) GABRA1GABRB2FFAR4FGFR2FGFR1
SCHEMBL10302192 0.85 KDM4E (0.36) GABRA1GABRB2FFAR4FGFR2FGFR1
SCHEMBL12740090 0.85 FFAR4 (0.39) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL10301920 0.85 CTSL (0.44) GABRA1GABRB2CTSLCTSSCTSK
SCHEMBL12717240 0.85 FFAR4 (0.39) GABRA1GABRB2CTSLCTSSCTSK

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 5 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-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
EP-2266941-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE Chisso Corporation (JP) 2010-12-29 — — EP disclosed
WO-2009125668-A1 TRICYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE チッソ株式会社 (JP) 2009-10-15 — — WO 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 GABRA1 3899/4885GABRB2 4451/4885CTSL 2598/4885

“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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