SCHEMBL1801912

SCHEMBL1801912

O=C(c1ccccc1)c1ccc(C(=O)O)c(C(=O)O)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.64
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
CDC25B P30305 2/20 0.52
CDC25A P30304 1/20 0.52
ATM Q13315 1/20 0.52
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
NR4A1 P22736 1/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
KEAP1 Q14145 1/20 0.50
NFE2L2 Q16236 1/20 0.50
ALDH1A1 P00352 1/20 0.48
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
SRD5A2 P31213 1/20 0.47

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
SCHEMBL27617414 0.87 AKR1C3 (0.57) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL809324 0.86 AKR1C3 (0.72) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL6056938 0.84 AKR1C3 (0.69) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL6057040 0.84 AKR1C3 (0.69) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL5069965 0.83 MAPT (0.69) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL6056989 0.83 AKR1C3 (0.67) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL78196 0.82 GAA (0.56) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL29557032 0.82 GAA (0.56) AKR1C3KDM4EHSD17B10MAPTALOX15
SCHEMBL22938971 0.81 ALDH1A1 (0.59) AKR1C3KDM4EHSD17B10ALOX15CDC25B
SCHEMBL1650146 0.81 AKR1C3 (0.60) AKR1C3KDM4EHSD17B10MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175518-A1 METAL-ORGANIC FRAMEWORKS UNIV NOTTINGHAM (GB) 2015-06-25 US disclosed
WO-2014013274-A2 METAL-ORGANIC FRAMEWORKS THE UNIVERSITY OF NOTTINGHAM (GB) 2014-01-23 WO disclosed
US-8163949-B2 Method for electrochemical production of a crystalline porous metal organic skeleton material BASF AKTIENGESELLSCHAFT (DE) 2012-04-24 US disclosed
US-7968739-B2 Method for electrochemical production of a crystalline porous metal organic skeleton material BASF AKTIENGESELLSCHAFT (DE) 2011-06-28 US disclosed
US-20110105776-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2011-05-05 US disclosed
US-20070227898-A1 Method for Electrochemical Production of a Crystalline Porous Metal Organic Skeleton Material BASF AKTIENGESELLSCHAFT (DE) 2007-10-04 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-20150175518-A1 METAL-ORGANIC FRAMEWORKS TRPM4, TRPM8, TRPM6 AKR1C3 3215/4885KDM4E 3607/4885HSD17B10 3965/4885

“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.