SCHEMBL3148774

SCHEMBL3148774

O=C(O)CC(=O)CC(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LDHA P00338 1/20 0.44
SRR Q9GZT4 1/20 0.44
EGLN1 Q9GZT9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM6B O15054 1/20 0.35
KDM5C P41229 1/20 0.35
PHF8 Q9UPP1 1/20 0.35
KDM2A Q9Y2K7 1/20 0.35
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BBOX1 O75936 1/20 0.30
LMNA P02545 1/20 0.30
ALKBH5 Q6P6C2 1/20 0.30
SUCNR1 Q9BXA5 1/20 0.30

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
SCHEMBL393611 0.94
Hydrochloric Acid SCHEMBL5000083 0.91
Ammonia Solution, Strong SCHEMBL11807700 0.91
SCHEMBL11809093 0.91
Ethane SCHEMBL5444803 0.88 TSHR (0.50) TSHRLDHASRREGLN1KDM4E
SCHEMBL5772267 0.84
SCHEMBL320091 0.84 LDHA (0.61) TSHRLDHASRREGLN1KDM4E
SCHEMBL320485 0.84 LDHA (0.61) TSHRLDHASRREGLN1KDM4E
SCHEMBL28522 0.80 LDHA (0.67) TSHRLDHASRREGLN1KDM4E
SCHEMBL2184678 0.80 LDHA (0.67) TSHRLDHASRREGLN1KDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109295019-B Alcohol dehydrogenase mutant and application thereof 浙江大学 2021-01-12 CN claimed
WO-2014203045-A1 A NOVEL, GREEN AND COST EFFECTIVE PROCESS FOR SYNTHESIS OF TERT-BUTYL (3R,5S)-6-OXO-3,5-DIHYDROXY-3,5-O-ISOPROPYLIDENE-HEXANOATE LUPIN LIMITED (IN) 2014-12-24 WO disclosed
EP-2694490-A1 PREPARATION OF 3,5-DIOXO HEXANOATE ESTER IN TWO STEPS Lonza Ltd (CH) 2014-02-12 EP disclosed
WO-2012130919-A1 PREPARATION OF 3,5-DIOXO HEXANOATE ESTER IN TWO STEPS LONZA LTD (CH) 2012-10-04 WO disclosed
WO-2012130920-A1 PREPARATION OF 3,5-DIOXO HEXANOATE ESTER LONZA LTD (CH) 2012-10-04 WO disclosed
US-20100081839-A1 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LTD. (IN) 2010-04-01 US disclosed
EP-2114957-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA Laboratories Limited (IN) 2009-11-11 EP disclosed
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I IPCA LABORATORIES LIMITED (IN) 2008-08-07 US disclosed
WO-2008093357-A2 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I IPCA LABORATORIES LIMITED (IN) 2008-08-07 WO disclosed
WO-2003072793-A2 METHOD FOR PRODUCING ALCOHOLS FROM SUBSTRATES BY USING OXIDE REDUCTASES, TWO-PHASE SYSTEM COMPRISING AN AQUEOUS PHASE AND AN ORGANIC PHASE AND DEVICE FOR CARRYING OUT SAID METHOD Forschungszentrum Jülich GmbH (DE) 2003-09-04 WO disclosed
EP-1141373-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS FORSCHUNGSZENTRUM JÜLICH GMBH (DE) 2001-10-10 EP disclosed
WO-2000036134-A1 METHOD FOR THE ENANTIOSELECTIVE REDUCTION OF 3,5-DIOXOCARBOXYLIC ACIDS, THEIR SALTS AND THEIR ESTERS Forschungszentrum Jülich GmbH (DE) 2000-06-22 WO 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 (2 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-20100081839-A1 PROCESS FOR PREPARATION OF CRYSTALLINE CLOPIDOGREL HYDROGEN SULPHATE FORM I VKORC1, VKORC1L1, PTGER1 TSHR 3025/4885LDHA 4518/4885SRR 10/4885
US-20080188663-A1 Process for the preparation of crystalline clopidogrel hydrogen sulphate Form I CYP2S1, CYP2F1, VKORC1L1 TSHR 4697/4885LDHA 3958/4885SRR 377/4885

“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.