SCHEMBL5341857

SCHEMBL5341857

Cc1cc2oc(=O)c(C3c4c(c5cc(C)c(C)cc5oc4=O)OC3O)c(O)c2cc1C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 11/20 0.49
HSD17B3 P37058 3/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
AKR1B1 P15121 1/20 0.31
HPGD P15428 1/20 0.31
MCL1 Q07820 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PRNP P04156 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL5341461 0.90 NQO1 (0.39) NQO1HSD17B3ESR1ESR2KDM4E
SCHEMBL14172459 0.87 NQO1 (0.49) NQO1HSD17B3ESR1ESR2KDM4E
SCHEMBL5346858 0.85 NQO1 (0.53) NQO1ESR1ESR2KDM4EALDH1A1
SCHEMBL5341518 0.85 NQO1 (0.51) NQO1KDM4ECYP3A4THRBHPGD
SCHEMBL5117858 0.84 NQO1 (0.46) NQO1HSD17B3KDM4EALDH1A1HPGD
SCHEMBL5338112 0.82 NQO1 (0.38) NQO1ESR1ESR2KDM4EALDH1A1
SCHEMBL5337199 0.82 NQO1 (0.39) NQO1HSD17B3ESR1ESR2KDM4E
SCHEMBL5344388 0.82 PRNP (0.45) NQO1HSD17B3ESR1ESR2KDM4E
SCHEMBL5120322 0.81 NQO1 (0.46) NQO1HSD17B3KDM4EALDH1A1HPGD
SCHEMBL5342497 0.80 NQO1 (0.51) NQO1KDM4EALDH1A1PRNPRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208518-B2 Substituted furochromene compounds of antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-04-24 US claimed
US-20060148890-A1 Substituted furochromene compounds of antiinflammatory action PLIVA-LSTRAZIVACKI INSTITUT D.O.O. (HR) 2006-07-06 US claimed
EP-1648901-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-04-26 EP claimed
WO-2005010006-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-02-03 WO claimed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-7208518-B2 Substituted furochromene compounds of antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-04-24 US disclosed
US-7208518-B2 Substituted furochromene compounds of antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-04-24 US disclosed
US-7208518-B2 Substituted furochromene compounds of antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-04-24 US disclosed
US-20060148890-A1 Substituted furochromene compounds of antiinflammatory action PLIVA-LSTRAZIVACKI INSTITUT D.O.O. (HR) 2006-07-06 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 (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-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 NQO1 397/4885HSD17B3 416/4885ESR1 2394/4885
US-20060148890-A1 Substituted furochromene compounds of antiinflammatory action LTC4S, CYP11B2, CYP11B1 NQO1 91/4885HSD17B3 176/4885ESR1 1570/4885

“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.