SCHEMBL880987

SCHEMBL880987

CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)c4ccc(-c5ccc(CCCCC)cc5)cc4)ccc4ccccc34)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 7/20 0.51
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ RARA P10276 1/20 0.50
▸ MTOR P42345 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ THRB P10828 1/20 0.45
▸ NCEH1 Q6PIU2 1/20 0.45
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL13452757 1.00 RARB (0.51) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL31404687 0.93 RARB (0.46) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL31404689 0.90 RARB (0.44) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL12199942 0.88 TAOK1 (0.48) MAPTMEN1KMT2ASMN1; SMN2NCEH1
SCHEMBL15292221 0.87 RARB (0.52) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL881059 0.87 RARB (0.53) RARBMAPTKMT2ASMN1; SMN2CNR2
SCHEMBL9150991 0.87 THRB (0.40) RARBMAPTSMN1; SMN2THRBNCEH1
SCHEMBL881060 0.86 RARB (0.55) RARBMAPTKMT2ASMN1; SMN2CNR2
SCHEMBL9155670 0.86 BCHE (0.42) RARBMAPTMEN1ALDH1A1RARA
SCHEMBL12199949 0.84 TAOK1 (0.46) MAPTMEN1KMT2ASMN1; SMN2THRB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974694-B2 Liquid-crystal composition JNC CORPORATION (JP) 2015-03-10 — — US disclosed
US-8580144-B2 Blue phase liquid crystal nanocomposites and devices containing the same KENT STATE UNIVERSITY (US) 2013-11-12 — — US disclosed
US-20130188107-A1 LIQUID-CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2013-07-25 — — US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 — — US disclosed
US-20120262662-A1 BLUE PHASE LIQUID CRYSTAL NANOCOMPOSITES AND DEVICES CONTAINING THE SAME KENT STATE UNIVERSITY (US) 2012-10-18 — — US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 — — US disclosed
EP-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 — — EP 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-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 RARB 153/4885MAPT 126/4885MEN1 4080/4885

“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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