SCHEMBL2833452

SCHEMBL2833452

CC(c1ccc(O)c(C(=O)O)c1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HPGD P15428 3/20 0.62
HSD17B10 Q99714 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
GRM1 Q13255 1/20 0.62
CSNK2A1 P68400 1/20 0.57
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PTGS2 P35354 2/20 0.55
CA12 O43570 1/20 0.55
ALOX5 P09917 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KDR P35968 2/20 0.52

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
SCHEMBL8428483 0.93 CA1 (0.58) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL658651 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1373696 0.93 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL5964731 0.91 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL8424356 0.91 CSNK2A1 (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL8423890 0.90 HPGD (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL27396609 0.88 ACMSD (0.65) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL11755689 0.88 CA1 (0.53) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL1649282 0.88 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL5697821 0.87 CSNK2A1 (0.57) KDM4EALDH1A1HPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4562242-A Branched polycarbonate from carboxy containing diphenol GENERAL ELECTRIC COMPANY (US) 1985-12-31 US claimed
EP-1210090-B1 USE OF CHEMICAL CHELATORS AS REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK MERCK SHARP & DOHME (NL) 2014-06-18 EP disclosed
US-20100075938-A1 Use of Chemical Chelators as Reversal Agents for Drug-Induced Neuromuscular Block N.V. ORGANON 2010-03-25 US disclosed
US-20070299035-A1 USE OF CHEMICAL CHELATORS AS REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK N.V. ORGANON (NL) 2007-12-27 US disclosed
US-7265099-B1 Use of chemical chelators as reversal agents for drug-induced neuromuscular block ORGANON N.V. (NL) 2007-09-04 US disclosed
EP-1210090-A2 USE OF CHEMICAL CHELATORS AS REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK Akzo Nobel N.V. (NL) 2002-06-05 EP disclosed
WO-2001012202-A2 USE OF CHEMICAL CHELATORS AS REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK AKZO NOBEL N.V. (NL) 2001-02-22 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-20070299035-A1 USE OF CHEMICAL CHELATORS AS REVERSAL AGENTS FOR DRUG-INDUCED NEUROMUSCULAR BLOCK ACHE, NMBR, KCNMB1 KDM4E 184/4885ALDH1A1 1411/4885HPGD 2927/4885
US-20100075938-A1 Use of Chemical Chelators as Reversal Agents for Drug-Induced Neuromuscular Block ACHE, BCHE, KCNMB1 KDM4E 81/4885ALDH1A1 1954/4885HPGD 2544/4885

“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.