SCHEMBL4459612

SCHEMBL4459612

COC(=O)CC(=O)c1ccco1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.61
FEN1 P39748 1/20 0.61
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
ALDH1A1 P00352 7/20 0.51
POLB P06746 4/20 0.51
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 3/20 0.51
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.46
TP53 P04637 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
SCHEMBL7718651 0.86 CES2 (0.57) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL1126497 0.84 ERCC5 (0.56) ERCC5FEN1ALDH1A1POLBALOX15
SCHEMBL6320074 0.84 ERCC5 (0.74) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL5160673 0.83 NPC1 (0.57) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL29054123 0.83 ERCC5 (0.54) ERCC5FEN1ALDH1A1POLBALOX15
SCHEMBL5161664 0.83 ERCC5 (0.54) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL10352733 0.83 CES2 (0.53) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL1061461 0.82 ERCC5 (0.67) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL28020549 0.82 ERCC5 (0.57) ERCC5FEN1CES2CES1ALDH1A1
SCHEMBL7070914 0.82 ERCC5 (0.71) ERCC5FEN1CES2CES1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1405917-B1 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction SALTIGO GMBH (DE) 2013-08-14 EP claimed
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US claimed
CN-102516210-A Preparation method of 2,3-dicyanofuran compound UNIV EAST CHINA SCIENCE & TECH 2012-06-27 CN claimed
US-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2004-09-16 US claimed
CN-1497048-A Method for preparing 3-heteroarylradical-3-hydroxy-propionic acid derivative 拜尔公司 2004-05-19 CN claimed
EP-1405917-A2 Process for the production of 3-Heteroaryl-3-hydroxy-propionic acid derivatives by enantioselective microbial reduction Bayer Chemicals AG (DE) 2004-04-07 EP claimed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US claimed
CN-110742892-B Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2022-05-24 CN disclosed
CN-110742892-A Application of 12H-indazole [2,1-a ] cinnoline-12-ketone compound 浙江工业大学 2020-02-04 CN disclosed
CN-110016034-A Imidazoles [1,2-a] [1,3,5] triazine formic ether compounds and the preparation method and application thereof 浙江工业大学 2019-07-16 CN disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-6410757-B1 TAXANE COMPOUNDS BIO RESEARCH CORPORATION OF YOKOHAMA (JP) 2002-06-25 US disclosed
US-6215016-B1 HEMATOPOIETIC AGENTS; PREVENTING CYTOPENIA TORAY INDUSTRIES, INC. (JP) 2001-04-10 US disclosed
EP-1029857-A1 Baccatin derivatives and a process for producing the same Bio Research Corporation of Yokohama (JP) 2000-08-23 EP disclosed
EP-0841063-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1998-05-13 EP disclosed
US-4829076-A CARDIOVASCULAR DISORDERS ALKALOIDA VEGYESZETI GYAR (HU) 1989-05-09 US disclosed
US-3993670-A OPTICAL BRIGHTENERS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-23 US disclosed
US-3971731-A OPTICAL BRIGHTENER, UV ABSORBER BAYER AKTIENGESELLSCHAFT (DT) 1976-07-27 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-20040181058-A1 Process for preparing 3-heteroaryl-3-hydroxypropanoic acid derivatives HPD, HAAO, GRHPR ERCC5 3209/4885FEN1 1511/4885CES2 888/4885

“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.