SCHEMBL12906844

SCHEMBL12906844

COc1ccc(CCc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CYP17A1 P05093 1/20 0.39
▸ NAAA Q02083 5/20 0.38
▸ HTR2C P28335 2/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL12908029 0.86 BRD4 (0.37) BRD4
SCHEMBL12907009 0.86 BRD4 (0.39) BRD4
SCHEMBL13586549 0.85 MAOB (0.38) NAAABRD4MAOBKDM4E
SCHEMBL12994409 0.84 FFAR4 (0.34) HTR2CCYP19A1ABCB1ABCG2
SCHEMBL12716575 0.84 BRD4 (0.34) NAAABRD4MAOB
SCHEMBL10303004 0.83 CYP17A1 (0.55) CYP17A1NAAACYP19A1
SCHEMBL13586484 0.82 ALOX5AP (0.36) CYP17A1BRD4
SCHEMBL12907050 0.82 NAAA (0.34) CYP17A1NAAABRD4
SCHEMBL12822756 0.81 BRD4 (0.34) BRD4
SCHEMBL12821152 0.81 BRD4 (0.34) BRD4

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-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
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 CYP17A1 1641/4885NAAA 3989/4885HTR2C 770/4885

“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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