SCHEMBL1827149

SCHEMBL1827149

CCCC(=O)Oc1cccc(O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.61
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
ACHE P22303 1/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
POLB P06746 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL4079668 0.90 CYP3A4 (0.57) CYP3A4ESR1ESR2ACHEKMT2A
SCHEMBL421378 0.89 BCL9 (0.53) BCL9CTNNB1ACHEKMT2AKDM4E
SCHEMBL689449 0.89 CYP3A4 (0.63) CYP3A4ESR1ESR2ACHEKMT2A
SCHEMBL3638907 0.89 CYP3A4 (0.56) CYP3A4ESR1ESR2KMT2AALDH1A1
SCHEMBL6139167 0.87 KMT2A (0.56) CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL9538006 0.87 KMT2A (0.56) CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL9716546 0.87 KMT2A (0.56) CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL32684489 0.87 KMT2A (0.56) CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL689823 0.86 CYP3A4 (0.59) CYP3A4ESR1ESR2KMT2AALDH1A1
SCHEMBL29995062 0.86 CYP3A4 (0.65) CYP3A4ESR1ESR2ACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382699-A Method for producing polyhydroxyalkanoates using 2-hydroxyisocaproate-CoA transferase 韩国科学技术院 2019-10-25 CN claimed
CN-106866402-A It is a kind of(R)The preparation method of the phenylbutyric acid of 2 hydroxyl 4 泰州市产品质量监督检验所 2017-06-20 CN claimed
CN-106699592-A Method for preparing lisinopril intermediate 浙江华海药业股份有限公司 2017-05-24 CN claimed
CN-105209390-A Rutile titanium dioxide nanoparticles and ordered acicular aggregates of same CRISTAL INORGANIC CHEMICALS SWITZERLAND LTD 2015-12-30 CN claimed
CN-102660471-A Production of chiral alpha-hydroxy acid and its strain by using biological catalysis method UNIV ZHEJIANG TECHNOLOGY 2012-09-12 CN claimed
CN-102660470-A Sinorhizobium fredii and its application in producing chiral alpha-hydroxy acid by biologically splitting alpha-hydroxy acid raceme UNIV ZHEJIANG TECHNOLOGY 2012-09-12 CN claimed
CN-101613279-B Method for preparing chiral compound of (R)-2-hydroxy-4-phenylbutyrate HANGZHOU FST PHARMACEUTICAL CO LTD 2012-06-06 CN claimed
CN-101613279-A The preparation method of chipal compounds (R)-2-hydroxy-4-phenyl ethyl butyrate HANGZHOU FST PHARMACEUTICALS C 2009-12-30 CN claimed
CN-100415892-C Process for microbial isomerization of alpha-hydroxycarboxylic acids BASF AG (DE) 2008-09-03 CN claimed
CN-1809642-A Process for microbial isomerization of alpha-hydroxycarboxylic acids BASF AG (DE) 2006-07-26 CN claimed
EP-1383741-A4 PROCESS FOR THE PREPARATION OF BENAZEPRIL RANBAXY LAB LTD (IN) 2006-01-04 EP claimed
US-20040152889-A1 Process for the preparation of benazepril RANBAXY LABORATORIES LIMITED (IN) 2004-08-05 US claimed
EP-1383741-A2 PROCESS FOR THE PREPARATION OF BENAZEPRIL RANBAXY LABORATORIES, LTD. (IN) 2004-01-28 EP claimed
WO-2002076375-A2 PROCESS FOR THE PREPARATION OF BENAZEPRIL RANBAXY LABORATORIES LIMITED (IN) 2002-10-03 WO claimed
JP-3200739-A None JP disclosed
CN-110382699-A Method for producing polyhydroxyalkanoates using 2-hydroxyisocaproate-CoA transferase 韩国科学技术院 2019-10-25 CN disclosed
CN-108004276-A The structure and circular flow method of a kind of ketone group reduction catalysts system 山东睿鹰先锋制药有限公司 2018-05-08 CN disclosed
CN-87101916-A The preparation method of pharmaceutically active compounds 1988-08-24 CN disclosed
EP-0249245-A2 Antihypertensive dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1987-12-16 EP disclosed
US-4257926-A SIMULTANEOUSLY WITH VULCANIZATION USING A COPOLYCONDENSATE OF A PHENOL, FORMALDEHYDE AND RESORCINOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-03-24 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-20040152889-A1 Process for the preparation of benazepril ACE, ACE2, REN CYP3A4 27/4885ESR1 3905/4885ESR2 2849/4885

“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.