SCHEMBL585596

SCHEMBL585596

CCOC(C)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 4/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
HTT P42858 2/20 0.40
TACR1 P25103 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
SCN1A P35498 3/20 0.39
SCN2A Q99250 3/20 0.39
SCN3A Q9NY46 3/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20012560 1.00 L3MBTL1 (0.44) L3MBTL1TAAR1LMNAPOLBLTB4R
SCHEMBL11982736 1.00 L3MBTL1 (0.44) L3MBTL1TAAR1LMNAPOLBLTB4R
SCHEMBL1338718 0.87 LMNA (0.43) L3MBTL1LMNALTB4RLTB4R2CYP1A2
SCHEMBL29222878 0.87 PTGS2 (0.46) L3MBTL1
SCHEMBL872779 0.83 LMNA (0.42) L3MBTL1TAAR1LMNAPOLBLTB4R
SCHEMBL27938263 0.83 TAAR1 (0.38) L3MBTL1TAAR1LMNAPOLBLTB4R
SCHEMBL2701953 0.82 HTT (0.42) TAAR1LMNAHTTTACR1SCN1A
SCHEMBL18253207 0.81 EPHX1 (0.44) L3MBTL1LMNAPOLBHTTSLC6A2
SCHEMBL293762 0.79 TAAR1 (0.43) TAAR1LMNAHTTTACR1HCAR2
SCHEMBL13676858 0.79 TACR1 (0.46) TAAR1LMNAHTTTACR1HCAR2

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 107 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020018087-A1 POLYURETHANE FOAM ADDITIVES TO IMPROVE FOAM ADHESION TO ORGANIC POLYMERS EVONIK DEGUSSA GMBH (DE) 2020-01-23 WO claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
US-20060166857-A1 4,8-Dimethyl-7-nonen-2-one and 4,8-dimethylnonan-2-one used as perfumes SYMRISE GMBH & CO. KG (DE) 2006-07-27 US claimed
EP-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 EP disclosed
CN-114849679-A Solid superacid supported catalyst and preparation method of beta-phenethyl alcohol 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-110776399-B Method for preparing beta-phenethyl alcohol 万华化学集团股份有限公司 2022-08-05 CN disclosed
CN-114008098-A Polymerizable composition for optical material, and method for producing optical material 豪雅镜片泰国有限公司 2022-02-01 CN disclosed
CN-114008097-A Method for manufacturing spectacle lens, and spectacles 豪雅镜片泰国有限公司 2022-02-01 CN disclosed
CN-109847754-B Catalyst and method for preparing beta-phenethyl alcohol by using same 万华化学集团股份有限公司 2022-01-07 CN disclosed
CN-113527619-A Method for producing polymerizable composition for optical material, method for producing transparent resin, and method for producing lens base material 豪雅镜片泰国有限公司 2021-10-22 CN disclosed
US-4213920-A Process for the production of substituted benzaldehydes CIBA-GEIGY CORPORATION (US) 1980-07-22 US disclosed
US-4212711-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4212710-A Electrochemical oxidation of alkyl aromatic compounds UOP INC. (US) 1980-07-15 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed
EP-0005300-A1 Substituted 8-hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, process for the preparation thereof, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-11-14 EP disclosed
EP-0005298-A1 Esters of substituted 8-hydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, process for the preparation thereof, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-11-14 EP disclosed
EP-0005299-A1 Substituted 1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepines, process for the preparation thereof, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-11-14 EP disclosed
US-4148696-A Electrochemical oxidation of activated alkyl aromatic compounds UOP INC. (US) 1979-04-10 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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR L3MBTL1 4871/4885TAAR1 1413/4885LMNA 2495/4885

“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.