SCHEMBL489037

SCHEMBL489037

Cc1c2ccccc2c(CO)c2ccc(O)c(O)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 3/20 0.37
KDM4E B2RXH2 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
RAB9A P51151 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 2/20 0.37
MCL1 Q07820 2/20 0.37

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
SCHEMBL488912 0.87 HSD17B10 (0.41) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL488903 0.78 CYP3A4 (0.50) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL31283575 0.78 CYP3A4 (0.50) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL17417161 0.74 TP53 (0.43) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
Sulfuric Acid SCHEMBL7984779 0.72 HPGD (0.56) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL14008502 0.71 MEN1 (0.41) CYP3A4TP53CYP1A2HSD17B10KDM4E
SCHEMBL488963 0.71 TSHR (0.45) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL29853841 0.71 TSHR (0.45) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL18013749 0.67 CYP3A4 (0.53) CYP3A4SMN1; SMN2TP53HIF1ACYP1A2
SCHEMBL3991314 0.67 IDO1 (0.52) CYP1A2HSD17B10MAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8105836-B2 Chemical inhibitors of mismatch repair MORPHOTEK, INC. (US) 2012-01-31 US claimed
EP-1351565-B1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC (US) 2011-03-16 EP claimed
US-6982169-B2 Chemical inhibitors of mismatch repair MORPHOTEK, INC. (US) 2006-01-03 US claimed
EP-1417329-A4 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC (US) 2005-05-11 EP claimed
EP-1417329-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS Morphotek Inc. (US) 2004-05-12 EP claimed
US-20030143586-A1 Genetic hypermutability of plants for gene discovery and diagnosis MORPHOTEK, INC. 2003-07-31 US claimed
US-20030091997-A1 Chemical inhibitors of mismatch repair EISAI, INC. 2003-05-15 US claimed
WO-2003031937-A2 GENETIC HYPERMUTABILITY OF PLANTS FOR GENE DISCOVERY AND DIAGNOSIS MORPHOTEK, INC. (US) 2003-04-17 WO claimed
US-20030068808-A1 Methods for generating antibiotic resistant microbes and novel antibiotics MORPHOTEK, INC. 2003-04-10 US claimed
WO-2003012130-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC. (US) 2003-02-13 WO claimed
US-10023632-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF MORPHOTEK, INC. (US) 2018-07-17 US disclosed
EP-3181585-A2 ANTIGENIC GM-CSF PEPTIDES AND ANTIBODIES TO GM-CSF Morphotek, Inc. (US) 2017-06-21 EP disclosed
US-20160333089-A1 Antigenic GM-CSF Peptides and Antibodies to GM-CSF EISAI, INC. 2016-11-17 US disclosed
EP-1981909-B1 ANTIGENIC GM-CSF PEPTIDES AND ANTIBODIES TO GM-CSF MORPHOTEK INC (US) 2016-10-12 EP disclosed
US-9422367-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF MORPHOTEK, INC. (US) 2016-08-23 US disclosed
US-20030091997-A1 Chemical inhibitors of mismatch repair EISAI, INC. 2003-05-15 US disclosed
WO-2003031937-A2 GENETIC HYPERMUTABILITY OF PLANTS FOR GENE DISCOVERY AND DIAGNOSIS MORPHOTEK, INC. (US) 2003-04-17 WO disclosed
US-20030068808-A1 Methods for generating antibiotic resistant microbes and novel antibiotics MORPHOTEK, INC. 2003-04-10 US disclosed
WO-2003012130-A1 METHODS FOR GENERATING ANTIBIOTIC RESISTANT MICROBES AND NOVEL ANTIBIOTICS MORPHOTEK INC. (US) 2003-02-13 WO disclosed
WO-2002054856-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC. (US) 2002-07-18 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 (3 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-20160333089-A1 Antigenic GM-CSF Peptides and Antibodies to GM-CSF CSF3R, CSF1R, GMFG CYP3A4 4877/4885SMN1; SMN2 2954/4885TP53 258/4885
US-10023632-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF CSF3R, CSF1R, GMFG CYP3A4 4877/4885SMN1; SMN2 2954/4885TP53 258/4885
US-20030091997-A1 Chemical inhibitors of mismatch repair MSH2, MSH6, PMS2 CYP3A4 4098/4885SMN1; SMN2 2539/4885TP53 31/4885

“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.