SCHEMBL7219960

SCHEMBL7219960

CCCCOC(=O)c1cccc(C(c2oc(=O)c3ccccc3c2O)c2c(O)c3ccccc3oc2=O)c1.O=C(O)c1ccccc1C(c1oc(=O)c2ccccc2c1O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 4/20 0.44
ADORA3 P0DMS8 1/20 0.42
CYP2C9 P11712 3/20 0.42
HSD17B10 Q99714 2/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALB P02768 1/20 0.40
PCSK7 Q16549 1/20 0.40
VKORC1 Q9BQB6 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
SCHEMBL4962451 0.92 NQO1 (0.52) NQO1ADORA3CYP2C9HSD17B10CYP3A4
SCHEMBL7219958 0.92 NQO1 (0.42) NQO1ADORA3CYP2C9HSD17B10CYP3A4
SCHEMBL6918020 0.91 NQO1 (0.50) NQO1ADORA3CYP2C9HSD17B10CYP3A4
SCHEMBL5113244 0.88 NQO1 (0.53) NQO1ADORA3CYP2C9HSD17B10CYP3A4
SCHEMBL4960715 0.87 ADORA3 (0.51) NQO1ADORA3CYP2C9MEN1KMT2A
SCHEMBL4957327 0.84 ADORA3 (0.57) NQO1ADORA3CYP2C9HSD17B10CYP3A4
SCHEMBL4961559 0.83 NQO1 (0.53) NQO1ADORA3CYP2C9
SCHEMBL5107208 0.82 ADORA3 (0.53) NQO1ADORA3CYP2C9KDM4EALDH1A1
SCHEMBL4958904 0.80 MEN1 (0.57) NQO1CYP2C9MEN1KMT2A
SCHEMBL4962535 0.80 NQO1 (0.58) NQO1CYP2C9HSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030199573-A1 Materials and methods for treating coagulation disorders ARYX THERAPEUTICS, INC. 2003-10-23 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-20030199573-A1 Materials and methods for treating coagulation disorders CES1, F2, CYP3A5 NQO1 249/4885ADORA3 2300/4885CYP2C9 24/4885

“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.