SCHEMBL5191995

SCHEMBL5191995

Cc1cc2oc(=O)c(C(C(=O)O)c3c(O)c4cc(C)c(C)cc4oc3=O)c(O)c2cc1C

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 10/20 0.55
ADORA3 P0DMS8 1/20 0.46
CYP2C9 P11712 3/20 0.44
VKORC1 Q9BQB6 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALB P02768 1/20 0.40
PCSK7 Q16549 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5193628 0.89 NQO1 (0.43) NQO1ADORA3CYP2C9KDM4EALDH1A1
SCHEMBL14170203 0.88 NQO1 (0.55) NQO1ADORA3CYP2C9VKORC1KDM4E
SCHEMBL14169946 0.84 NQO1 (0.65) NQO1ADORA3CYP2C9KDM4EALDH1A1
SCHEMBL14170049 0.83 NQO1 (0.60) NQO1CYP2C9VKORC1KDM4EALDH1A1
SCHEMBL14169934 0.82 NQO1 (0.57) NQO1ADORA3CYP2C9VKORC1KDM4E
SCHEMBL14170269 0.80 ADORA3 (0.54) NQO1ADORA3CYP2C9VKORC1KDM4E
SCHEMBL11882713 0.79 NQO1 (0.67) NQO1CYP2C9KDM4EALDH1A1HSD17B10
SCHEMBL14172149 0.79 NQO1 (0.55) NQO1ADORA3CYP2C9VKORC1
SCHEMBL14171314 0.78 NQO1 (0.69) NQO1CYP2C9KDM4EALDH1A1MEN1
SCHEMBL14169803 0.77 CYP2C9 (0.53) NQO1ADORA3CYP2C9VKORC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1846428-A1 ANTI-INFLAMMATORY CONJUGATES OF MACROLIDES AND COUMARINS GlaxoSmithKline istrazivacki centar Zagreb d.o.o. (HR) 2007-10-24 EP disclosed
WO-2006092739-A1 ANTI-INFLAMMATORY CONJUGATES OF MACROLIDES AND COUMARINS GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2006-09-08 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 (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-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 NQO1 397/4885ADORA3 2675/4885CYP2C9 26/4885

“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.