SCHEMBL5189359

SCHEMBL5189359

CC(C)c1cccc2c(O)c(C(C(=O)O)c3c(O)c4cccc(C(C)C)c4oc3=O)c(=O)oc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 3/20 0.44
VKORC1 Q9BQB6 3/20 0.43
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 7/20 0.41
CRHBP P24387 1/20 0.41
CASP7 P55210 1/20 0.41
CASP6 P55212 1/20 0.41
CRHR2 Q13324 1/20 0.41
HIF1A Q16665 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 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

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
SCHEMBL14170072 0.89 NQO1 (0.44) NQO1VKORC1ADORA3CYP2C9CRHBP
SCHEMBL14169887 0.85 VKORC1 (0.44) NQO1VKORC1CYP2C9CRHBPCASP7
SCHEMBL14170168 0.85 NQO1 (0.49) NQO1VKORC1ADORA3CYP2C9CRHBP
SCHEMBL14170283 0.84 ADORA3 (0.65) NQO1VKORC1ADORA3CYP2C9CRHBP
SCHEMBL14172090 0.83 NQO1 (0.60) NQO1VKORC1CYP2C9CRHBPCASP7
SCHEMBL14172156 0.82 CYP2C9 (0.45) NQO1VKORC1CYP2C9CRHBPCASP7
SCHEMBL14169964 0.82 ADORA3 (0.50) NQO1VKORC1ADORA3CYP2C9CRHBP
SCHEMBL14169816 0.81 ADORA3 (0.48) NQO1VKORC1ADORA3CYP2C9MEN1
SCHEMBL14170170 0.80 ADORA3 (0.51) NQO1ADORA3
SCHEMBL14170012 0.79 NQO1 (0.39) NQO1VKORC1ADORA3CYP2C9CRHBP

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 397/4885VKORC1 67/4885ADORA3 2675/4885

“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.