SCHEMBL10302801

SCHEMBL10302801

C=Cc1ccc(C#Cc2ccc(-c3ccc(OCC)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.35
▸ FGFR2 P21802 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ GABRA1 P14867 2/20 0.30
▸ GABRB2 P47870 2/20 0.30
▸ TNFRSF1A P19438 1/20 0.30
▸ PTPRC P08575 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
SCHEMBL10302798 0.88 TUBB1 (0.39) TUBB1FGFR2FGFR1CYP11B1CYP11B2
SCHEMBL13264329 0.84 TUBB1 (0.40) TUBB1FGFR2FGFR1GABRA1GABRB2
SCHEMBL10302796 0.83 FFAR4 (0.37) FGFR2FGFR1CYP11B1CYP11B2
SCHEMBL10302718 0.83 FGFR2 (0.33) FGFR2FGFR1
SCHEMBL10302794 0.81 FFAR4 (0.40) FGFR2FGFR1CYP11B1CYP11B2GABRA1
SCHEMBL10302826 0.81 FGFR2 (0.35) TUBB1FGFR2FGFR1GABRA1GABRB2
SCHEMBL10302526 0.79 PKM (0.39) TUBB1FGFR2FGFR1
SCHEMBL18509967 0.79 FGFR2 (0.39) TUBB1FGFR2FGFR1GABRA1GABRB2
SCHEMBL10302805 0.79 RARB (0.39) —
SCHEMBL10302272 0.79 TACR2 (0.41) TUBB1FGFR2FGFR1GABRA1GABRB2

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-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 TUBB1 548/4885FGFR2 444/4885FGFR1 343/4885

“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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