SCHEMBL7199435

SCHEMBL7199435

C=CCC(C(=O)O)C(O)(CC(=O)O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.50
HSPD1 P10809 1/20 0.50
BLM P54132 1/20 0.50
HSPE1 P61604 1/20 0.50
CPT2 P23786 1/20 0.50
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CYP2C19 P33261 2/20 0.33
CPA1 P15085 1/20 0.33
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
ABCC4 O15439 1/20 0.31

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
SCHEMBL6473096 0.86 CPT2 (0.43) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL1538353 0.82 CPT2 (0.40) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL3993639 0.80 HSPD1 (0.49) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL3800160 0.79 HSPD1 (0.39) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL2557188 0.79 HSPD1 (0.64) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL11584543 0.78 ACLY (0.59) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL723184 0.76 ACLY (0.57) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL11000169 0.73 GRIK1 (0.36) HSPD1BLMHSPE1ALDH1A1GRIK1
SCHEMBL28527107 0.73 ACLY (0.53) ACLYHSPD1BLMHSPE1CPT2
SCHEMBL4060328 0.73 HSPD1 (0.62) ACLYHSPD1BLMHSPE1CPT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0865501-A1 METHODS FOR REMOVING INTERFERENCES DUE TO ENDOGENOUS DEHYDROGENASES IN ENZYME ASSAYS Dade Behring Marburg GmbH (DE) 1998-09-23 EP claimed
WO-1997016562-A1 METHODS FOR REMOVING INTERFERENCES DUE TO ENDOGENOUS DEHYDROGENASES IN ENZYME ASSAYS DADE BEHRING MARBURG GMBH (DE) 1997-05-09 WO claimed
US-5399556-A Complex of ranitidine and a zinc citrate; gastrointestinal disorders, peptic ulcers GLAXO GROUP LTD. (GB) 1995-03-21 US claimed
US-5221688-A Gastrointestinal disorders GLAXO GROUP LIMITED (GB) 1993-06-22 US claimed
EP-0454449-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP claimed
EP-0454469-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP claimed
EP-0445949-A1 Pharmaceutical compositions comprising carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP claimed
JP-4225988-A None JP disclosed
JP-4217676-A None JP disclosed
EP-2831065-A1 COMPOSITIONS CONTAINING TETRAHYDROFURFURYL AND/OR ALKYL-SUBSTITUTED TETRAHYDROFURFURYL ESTERS OF CITRIC ACID 3M Innovative Properties Company (US) 2015-02-04 EP disclosed
WO-2013148255-A1 COMPOSITIONS CONTAINING TETRAHYDROFURFURYL AND/OR ALKYL-SUBSTITUTED TETRAHYDROFURFURYL ESTERS OF CITRIC ACID 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-03 WO disclosed
CN-102105132-A Cosmetic use of microorganisms for treating oily skin OREAL 2011-06-22 CN disclosed
US-20030158118-A1 Combination of cimetidine and cysteine derivatives for treating cancer WEIDNER MORTEN SLOTH (DK) 2003-08-21 US disclosed
EP-0454449-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP disclosed
EP-0454449-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP disclosed
EP-0454469-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP disclosed
EP-0454469-A1 Carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-10-30 EP disclosed
US-5049699-A Citric acid, paraformaldehyde, acetic anhydride HAARMANNS' REIMER CORP (US) 1991-09-17 US disclosed
EP-0445949-A1 Pharmaceutical compositions comprising carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP disclosed
EP-0445949-A1 Pharmaceutical compositions comprising carboxylic acid derivatives GLAXO GROUP LIMITED (GB) 1991-09-11 EP 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-20030158118-A1 Combination of cimetidine and cysteine derivatives for treating cancer MGMT, CMA1, CYSLTR2 ACLY 2617/4885HSPD1 872/4885BLM 3322/4885

“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.