SCHEMBL514581

SCHEMBL514581

COc1ccccc1OCC=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA12 O43570 1/20 0.54
CA4 P22748 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.51
LMNA P02545 3/20 0.50
TUBB1 Q9H4B7 1/20 0.49
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
APP P05067 1/20 0.46

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
SCHEMBL3946342 0.83 L3MBTL1 (0.53) LMNACTSLCTSSCTSKL3MBTL1
SCHEMBL8583808 0.82 TUBB1 (0.52) SMN1; SMN2POLBTUBB1CTSLCTSS
SCHEMBL8876032 0.82 SMN1; SMN2 (0.59) SMN1; SMN2POLBLMNATUBB1L3MBTL1
SCHEMBL26934664 0.81 ERN1 (0.43) CA1CA2CA12CA4CA7
SCHEMBL9115698 0.81 CA1 (0.56) CA1CA2CA12CA4CA7
1,2-Dimethoxybenzene SCHEMBL27275894 0.80 CA1 (0.62) CA1CA2CA12CA4CA7
SCHEMBL11470281 0.80 LMNA (0.56) CA1CA2CA12CA4CA7
SCHEMBL9633635 0.80 TUBB1 (0.54) SMN1; SMN2POLBLMNATUBB1CTSL
1-Allyloxy-2-Methoxybenzene SCHEMBL73345 0.79 CA12 (0.54) CA1CA2CA12CA4CA7
SCHEMBL10509104 0.79 LIG1 (0.53) CA1CA12CA9HSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483253-B Method for preparing guaiacol product by pyrolyzing lignin through steam-assisted fixed bed 中国林业科学研究院林产化学工业研究所 2022-05-06 CN claimed
CN-118078681-A Bio-based Shan Quan crosslinked chitosan microsphere for encapsulating L-ascorbic acid and preparation method thereof 安徽美科迪智能微胶囊科技有限公司 2024-05-28 CN disclosed
CN-117486694-B Continuous preparation method of veratraldehyde 山东新和成药业有限公司 2024-03-26 CN disclosed
CN-117486694-A Continuous preparation method of veratraldehyde 山东新和成药业有限公司 2024-02-02 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-116272801-A Formylation reaction equipment for producing veratraldehyde with full reaction 武汉青江化工黄冈有限公司 2023-06-23 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
WO-2022138015-A1 NON-COMBUSTION HEATING-TYPE CIGARETTE AND ELECTRIC HEATING-TYPE CIGARETTE PRODUCT 日本たばこ産業株式会社 2022-06-30 WO disclosed
WO-2022138007-A1 HEAT-NOT-BURN CIGARETTE AND ELECTRICALLY HEATED TOBACCO PRODUCT 日本たばこ産業株式会社 2022-06-30 WO disclosed
WO-2022138008-A1 NON-COMBUSTION HEATED TOBACCO AND ELECTRICALLY-HEATED TOBACCO PRODUCT 日本たばこ産業株式会社 2022-06-30 WO disclosed
EP-1142874-A2 Intermediates for preparing the R or S enantiomer of 1-[9'H-carbazol-4'-yloxy]-3-[ 2''-(2'''- methoxy -phenoxy)-ethyl -amino]-propan-2-ol[carvedilol] EGIS GYOGYSZERGYAR RT. (HU) 2001-10-10 EP disclosed
EP-0918055-A1 Process and intermediates for preparing 1-[9'H-carbazol-4'-yloxy]-3-[ 2''-(2'''- methoxy -phenoxy)-ethyl)-amino]-propan-2-ol[carvedilol] EGIS GYOGYSZERGYAR RT. (HU) 1999-05-26 EP disclosed
US-5212316-A Respiratory system disorders BOEHRINGER MANNHEIM ITALIA (IT) 1993-05-18 US disclosed
EP-0303227-B1 ETHERS AND THIOETHERS HAVING THERAPEUTICAL ACTIVITY, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1992-02-05 EP disclosed
US-4968706-A MUCOLYTIC, ANTITUSSIVE, BRONCHODILATOR, ANTIINFLAMMATORY BOEHRINGER MANNHEIN ITALIA, S.P.A. (IT) 1990-11-06 US disclosed
EP-0169581-B1 ANTITUSSIVE AND MUCUS REGULATING 2-SUBSTITUTED THIAZOLIDINES BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1989-12-06 EP disclosed
US-4857643-A Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-08-15 US disclosed
EP-0303227-A1 Ethers and thioethers having therapeutical activity, their preparation and pharmaceutical compositions containing them BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1989-02-15 EP disclosed
US-4798898-A BRONCHODILATORS BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1989-01-17 US disclosed
EP-0169581-A2 Antitussive and mucus regulating 2-substituted thiazolidines BOEHRINGER BIOCHEMIA ROBIN S.p.A. (IT) 1986-01-29 EP disclosed