SCHEMBL9075010

SCHEMBL9075010

CCCCCc1ccc(-c2ccc(C(C)=O)cc2)cc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.75
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
ALDH1A1 P00352 2/20 0.73
RARA P10276 1/20 0.73
MAPT P10636 1/20 0.73
MTOR P42345 1/20 0.73
THRA P10827 8/20 0.61
THRB P10828 8/20 0.61
HSD17B10 Q99714 1/20 0.59
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55

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
SCHEMBL11106134 0.98 RARB (0.76) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL7331490 0.98 RARB (0.76) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL9230041 0.98 RARB (0.76) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8214463 0.95 RARB (0.74) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL963847 0.94 THRA (0.67) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL12243159 0.93 RARB (0.72) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL965858 0.93 THRA (0.70) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL4185050 0.93 THRA (0.70) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL8383207 0.93 THRA (0.70) RARBMEN1KMT2AALDH1A1RARA
SCHEMBL499485 0.93 THRA (0.70) RARBMEN1KMT2AALDH1A1RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 US disclosed
EP-0465621-B1 PARTIALLY FLUORINATED COMPOUNDS MERCK PATENT GMBH (DE) 1996-11-13 EP disclosed
EP-0107759-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS COMPONENTS FOR LIQUID CRYSTALS MERCK PATENT GmbH (DE) 1992-12-16 EP disclosed
US-5108652-A Liquid crystal dielectrics Merck patent Gesellschaft mit beschrankter Haftung Darmstadt (DE) 1992-04-28 US disclosed
WO-1991011418-A1 PARTIALLY FLUORINATED COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-08-08 WO disclosed
US-4986931-A Cyclohexane derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-01-22 US disclosed
EP-0154849-B1 CYCLOHEXANE DERIVATIVES MERCK PATENT GmbH (DE) 1989-01-25 EP disclosed
US-4572794-A Acetonitriles, their preparation, and dielectrics and electro-optical display elements containing them MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1986-02-25 US disclosed
EP-0154849-A2 Cyclohexane derivatives MERCK PATENT GmbH (DE) 1985-09-18 EP disclosed
US-4510069-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-04-09 US disclosed
EP-0107759-A2 Cyclohexane derivatives and their use as components for liquid crystals MERCK PATENT GmbH (DE) 1984-05-09 EP disclosed
US-4382012-A Liquid crystalline diketones MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1983-05-03 US disclosed
EP-0019060-B1 DIKETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS COMPONENTS OF LIQUID-CRYSTALLINE DIELECTRICS MERCK PATENT GmbH (DE) 1982-04-21 EP disclosed
US-4297515-A Diketones useful as liquid crystals MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-10-27 US disclosed
EP-0019060-A1 Diketones, process for their preparation and their use as components of liquid-crystalline dielectrics MERCK PATENT GmbH (DE) 1980-11-26 EP disclosed
US-4017416-A P-cyanophenyl 4-alkyl-4'-biphenylcarboxylate, method for preparing same and liquid crystal compositions using same CHISSO CORPORATION (JA) 1977-04-12 US 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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 RARB 3783/4885MEN1 289/4885KMT2A 3816/4885

“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.