SCHEMBL12908029

SCHEMBL12908029

CCCc1ccc(CCc2ccc(-c3ccc(C4CO4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ RARB P10826 2/20 0.36
▸ RARA P10276 1/20 0.36
▸ RARG P13631 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.33
▸ MCL1 Q07820 1/20 0.31

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
SCHEMBL12907009 0.93 BRD4 (0.39) BRD4RARBRARARARGTAAR1
SCHEMBL12821152 0.92 BRD4 (0.34) BRD4RARBRARARARGTAAR1
SCHEMBL12907077 0.88 CTSL (0.34) BRD4
SCHEMBL12822756 0.88 BRD4 (0.34) BRD4RARBRARARARGTAAR1
SCHEMBL12906844 0.86 CYP17A1 (0.39) BRD4
SCHEMBL13586487 0.86 NPC1 (0.33) BRD4
SCHEMBL12907050 0.86 NAAA (0.34) BRD4
SCHEMBL12822868 0.85 BRD4 (0.34) BRD4RARBRARARARG
SCHEMBL12907037 0.85 RARB (0.32) BRD4RARBRARARARG
SCHEMBL12908031 0.85 BRD4 (0.36) BRD4TAAR1

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 BRD4 825/4885RARB 3213/4885RARA 2510/4885

“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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