SCHEMBL12822756

SCHEMBL12822756

CCc1ccc(-c2ccc(CCc3ccc(-c4ccc(C5CO5)c(F)c4)cc3)c(F)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.34
▸ CHKA P35790 1/20 0.33
▸ RARB P10826 2/20 0.31
▸ RARA P10276 1/20 0.31
▸ RARG P13631 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ TAAR1 Q96RJ0 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
SCHEMBL12821152 0.94 BRD4 (0.34) BRD4CHKARARBRARARARG
SCHEMBL12717051 0.90 CHKA (0.36) CHKA
SCHEMBL12907009 0.90 BRD4 (0.39) BRD4RARBRARARARGTAAR1
SCHEMBL13586428 0.89 BRD4 (0.39) BRD4CHKARARBTAAR1
SCHEMBL13586549 0.89 MAOB (0.38) BRD4TAAR1
SCHEMBL12821499 0.88 BRD4 (0.34) BRD4CHKA
SCHEMBL12907077 0.88 CTSL (0.34) BRD4CHKA
SCHEMBL12908029 0.88 BRD4 (0.37) BRD4RARBRARARARGTAAR1
SCHEMBL12822179 0.87 NPC1 (0.33) BRD4
SCHEMBL12822945 0.87 BRD4 (0.32) BRD4CHKA

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 BRD4 1478/4885CHKA 1684/4885RARB 2705/4885

“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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