SCHEMBL4308585

SCHEMBL4308585

CCCCCCCCc1ccc(C(=O)OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.73
CYP4F2 P78329 1/20 0.73
THRA P10827 9/20 0.61
THRB P10828 9/20 0.61
RARB P10826 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 2/20 0.61
ALDH1A1 P00352 1/20 0.61
RARA P10276 1/20 0.61
MTOR P42345 1/20 0.61
HAO1 Q9UJM8 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL6069166 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL6024028 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL15174466 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL10986414 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL12814607 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL11028588 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL14660877 1.00 CYP4A11 (0.73) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL8044139 0.98 CYP4A11 (0.75) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL2401275 0.95 RARB (0.69) CYP4A11CYP4F2THRATHRBRARB
SCHEMBL20874436 0.95 RARB (0.69) CYP4A11CYP4F2THRATHRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 US claimed
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-03-09 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
EP-3248061-B1 LIGHT MODULATION ELEMENT MERCK PATENT GMBH (DE) 2020-10-14 EP disclosed
WO-2016022881-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND METHODS OF USE AND MANUFACTURE DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2016-02-11 WO disclosed
US-9029565-B1 Fused ring indeno compounds for preparation of photochromic compounds TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed
US-9000209-B2 Method of regioselective synthesis of substituted benzoates IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2015-04-07 US disclosed
US-20140288324-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED BENZOATES NATIONAL SCIENCE FOUNDATION 2014-09-25 US disclosed
WO-2013185740-A1 A METHOD FOR THE PREPARATION OF FINGOLIMOD ZENTIVA, K.S. (CZ) 2013-12-19 WO disclosed
WO-2013015918-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED BENZOATES IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2013-01-31 WO disclosed
WO-2009133045-A1 NEW BORANE-AMINE COMPLEXES AND THEIR APPLICATION IN SUZUKI-TYPE CROSS -COUPLING REACTIONS BASF SE (DE) 2009-11-05 WO disclosed
WO-2009133045-A1 NEW BORANE-AMINE COMPLEXES AND THEIR APPLICATION IN SUZUKI-TYPE CROSS -COUPLING REACTIONS BASF SE (DE) 2009-11-05 WO disclosed
US-6616989-B1 A switching and/or display device CLARIANT INTERNATIONAL LTD. (CH) 2003-09-09 US disclosed
US-4507450-A COORDINATION CATALYSTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1985-03-26 US disclosed
US-4229558-A HAVING HIGH ISOTACTIC INDEX BY USING A CATALYST PREPARED FROM A MAGNESIUM GRIGNARD REAGENT, TITANIUM HALIDE AN ETHER AND A CARBOXYLIC ESTER COMBINED WITH AN ORGANOALUMINUM COMPOUND MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1980-10-21 US disclosed
US-4198130-A Liquid crystal mixtures HOFFMANN-LA ROCHE INC. (US) 1980-04-15 US disclosed
US-4180475-A POSITIVE ANISOTROPY OF DIELECTRIC CONSTANTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-12-25 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 (2 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-20140288324-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED BENZOATES MAL2, PAH, ME3 CYP4A11 13/4885CYP4F2 237/4885THRA 4422/4885
US-20230072658-A1 SMARCA DEGRADERS AND USES THEREOF SMARCA1, SMARCB1, SMARCE1 CYP4A11 3925/4885CYP4F2 4684/4885THRA 3676/4885

“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.