SCHEMBL14172135

SCHEMBL14172135

CC(=O)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 7/20 0.72
ADORA3 P0DMS8 1/20 0.68
CYP2C9 P11712 3/20 0.64
VKORC1 Q9BQB6 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ALDH1A1 P00352 1/20 0.64
ALB P02768 1/20 0.64
PCSK7 Q16549 1/20 0.64
HSD17B10 Q99714 1/20 0.64
TOP1 P11387 1/20 0.63
CA12 O43570 1/20 0.60
CA9 Q16790 1/20 0.60
CRHBP P24387 1/20 0.59
CASP7 P55210 1/20 0.59
CASP6 P55212 1/20 0.59
CRHR2 Q13324 1/20 0.59
HIF1A Q16665 1/20 0.59

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
SCHEMBL10338525 0.91 CYP2C9 (0.70) NQO1ADORA3CYP2C9VKORC1MEN1
SCHEMBL5194045 0.86 NQO1 (0.69) NQO1ADORA3CYP2C9VKORC1MEN1
SCHEMBL32659670 0.82 VKORC1 (0.82) NQO1CYP2C9VKORC1TOP1CRHBP
SCHEMBL14078661 0.82 NQO1 (0.73) NQO1CYP2C9VKORC1TOP1CRHBP
SCHEMBL310481 0.82 VKORC1 (0.82) NQO1CYP2C9VKORC1TOP1CRHBP
SCHEMBL3173605 0.82 NQO1 (0.71) NQO1ADORA3CYP2C9VKORC1MEN1
SCHEMBL18126686 0.82 NQO1 (0.78) NQO1CYP2C9VKORC1MEN1KMT2A
Ethyl Biscoumacetate SCHEMBL42830 0.81 ADORA3 (1.00) NQO1ADORA3CYP2C9VKORC1MEN1
Ethyl Biscoumacetate SCHEMBL29359768 0.81 ADORA3 (1.00) NQO1ADORA3CYP2C9VKORC1MEN1
SCHEMBL14170023 0.81 CYP2C9 (0.57) NQO1ADORA3CYP2C9VKORC1MEN1

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 2 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

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.