SCHEMBL4866982

SCHEMBL4866982

C=C(C(=O)OCC)c1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
EGFR P00533 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
JAK1 P23458 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HDAC3 O15379 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49

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
SCHEMBL28989643 0.95 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL11817868 0.88 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EHPGDMEN1
SCHEMBL30480483 0.85 HDAC3 (0.52) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL11691288 0.85 ALDH1A1 (0.48) ALDH1A1MAPTKDM4EHPGDKMT2A
SCHEMBL8719138 0.85 KDM4E (0.55) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL11815282 0.85 AKR1C3 (0.47) ALDH1A1MAPK1NPC1GAACA12
SCHEMBL2705465 0.84 CES2 (0.61) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL28989846 0.83 MEN1 (0.49) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL28763047 0.82 KDM4E (0.54) ALDH1A1SMN1; SMN2MAPTKDM4EHPGD
SCHEMBL11270791 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115989251-A Composition comprising an additive having polycyclic aromatic groups 伊英克公司 2023-04-18 CN disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES NATIONAL SCIENCE FOUNDATION 2013-10-24 US disclosed
US-7414160-B2 Process for producing aromatic compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2008-08-19 US disclosed
US-20060106261-A1 Process for producing aromatic compounds ISHII YASUTAKA 2006-05-18 US disclosed
US-7019179-B2 Oxidizing aromatic compound with a heteropolyacid and/or salt or mixture containing P or Si and V, Mo or W; and eitherreducing to form a hydroxide group, coupling with O2 or alkylation or alkenylation using Pd compound catalyst DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-28 US disclosed
EP-1212309-B1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD (KR) 2004-08-18 EP disclosed
US-6747050-B1 INHIBITING THE ACTIVITY OF CASPASES, PREVENTING INFLAMMATION AND APOPTOSIS LG CHEM INVESTMENT LTD. (KR) 2004-06-08 US disclosed
EP-1171416-B1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS LILLY CO ELI (GB) 2004-02-18 EP disclosed
US-20030171625-A1 Process for producing aromatic compounds DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-09-11 US disclosed
EP-1212309-A1 CASPASE INHIBITOR LG Chem Investment, Ltd. (KR) 2002-06-12 EP disclosed
US-6384281-B1 USED IN TREATING NERVOUS SYSTEM DISORDERS E.G DEPRESSION, ALCOHOLISM, PAIN, HYPERTENSION, ALZHEIMER'S, MEMORY LOSS, ATTENTION-DEFICIT/OBSESSIVE COMPULSIVE/GASTRIC/CARDIOVASCULAR DISORDERS, PARKINSON'S, ANXIETY, CHRONIC FATIGUE SYNDROME, ELI LILLY AND COMPANY 2002-05-07 US disclosed
EP-1171416-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2002-01-16 EP disclosed
WO-2001021600-A1 CASPASE INHIBITOR LG CHEM INVESTMENT LTD. (KR) 2001-03-29 WO disclosed
WO-2001021599-A1 CASPASE INHIBITOR LG CHEMICAL LTD. (KR) 2001-03-29 WO disclosed
WO-2000061539-A1 3-BICYCLOARYL-2-AMINOMETHYL BICYCLOALKANES AS SEROTONINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY LIMITED (GB) 2000-10-19 WO disclosed
US-4335054-A Process for the preparation of alkenylbenzenecarboxylic acid derivatives and alkenylnaphthalenecarboxylic acid derivatives CIBA-GEIGY CORPORATION (US) 1982-06-15 US disclosed
US-4277490-A Insecticidal 1-(2-naphthyl)-cyclobutane carboxylate COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1981-07-07 US disclosed
EP-0003670-A1 Preparation of alkyl 2-aryl acrylates COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1979-08-22 EP disclosed
US-3987116-A ETHYNYLARYL COMPOUNDS AND DERIVATIVES THEREOF WILLIAM H. RORER, INC. (US) 1976-10-19 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 (3 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-20130281747-A1 COBALT PHOSPHINE ALKYL COMPLEXES FOR THE ASYMMETRIC HYDROGENATION OF ALKENES CPNE4, FTH1, HRH3 ALDH1A1 2936/4885SMN1; SMN2 1252/4885MAPT 4711/4885
US-20060106261-A1 Process for producing aromatic compounds PAH, HPD, HAO2 ALDH1A1 1406/4885SMN1; SMN2 3753/4885MAPT 2906/4885
US-20030171625-A1 Process for producing aromatic compounds PAH, HPD, HAO2 ALDH1A1 1406/4885SMN1; SMN2 3753/4885MAPT 2906/4885

“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.