SCHEMBL488912

SCHEMBL488912

Cc1c2ccccc2c(CO)c2c(O)c(O)ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
CYP3A4 P08684 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 2/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 2/20 0.41
CASP1 P29466 2/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 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
SCHEMBL489037 0.87 CYP3A4 (0.38) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL488903 0.78 CYP3A4 (0.50) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL31283575 0.78 CYP3A4 (0.50) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL17417161 0.74 TP53 (0.43) HSD17B10CYP3A4HPGDHIF1ATSHR
SCHEMBL9845792 0.68 HPGD (0.54) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL13763201 0.68 PTPN22 (0.55) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL18013749 0.67 CYP3A4 (0.53) HSD17B10CYP3A4HPGDHIF1AMAPK1
SCHEMBL14008502 0.67 MEN1 (0.41) HSD17B10CYP3A4MAPK1TSHRRAB9A
SCHEMBL3991314 0.67 IDO1 (0.52) HSD17B10HPGDTSHRCASP1CYP1A2
SCHEMBL1101881 0.66 LMNA (0.52) HSD17B10CYP3A4HPGDHIF1AMAPK1

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 50 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-1351565-A4 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC (US) 2005-05-25 EP 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
EP-1351565-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR Morphotek Inc. (US) 2003-10-15 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
WO-2002054856-A1 CHEMICAL INHIBITORS OF MISMATCH REPAIR MORPHOTEK INC. (US) 2002-07-18 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
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 HSD17B10 4026/4885CYP3A4 4877/4885HPGD 2997/4885
US-10023632-B2 Antigenic GM-CSF peptides and antibodies to GM-CSF CSF3R, CSF1R, GMFG HSD17B10 4026/4885CYP3A4 4877/4885HPGD 2997/4885
US-20030091997-A1 Chemical inhibitors of mismatch repair MSH2, MSH6, PMS2 HSD17B10 2040/4885CYP3A4 4098/4885HPGD 843/4885

“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.