SCHEMBL3048772

SCHEMBL3048772

CONC(CC(C)=O)(c1ccccc1)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
VKORC1 Q9BQB6 4/20 0.46
CYP2C9 P11712 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALB P02768 2/20 0.46
PCSK7 Q16549 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NQO1 P15559 4/20 0.46
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ADORA3 P0DMS8 1/20 0.41
ABCB11 O95342 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL15514111 0.80 ALDH1A1 (0.51) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL3778823 0.80 ALDH1A1 (0.51) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL7351830 0.79 ALDH1A1 (0.50) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL6890789 0.76 CYP2C9 (0.52) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL2358729 0.74 LMNA (0.48) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL7354341 0.73 KDM4E (0.55) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL9286035 0.72 NQO1 (0.53) ALDH1A1VKORC1CYP2C9KDM4EPCSK7
SCHEMBL1649890 0.72 NQO1 (0.50) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL5103338 0.71 NQO1 (0.52) ALDH1A1VKORC1CYP2C9KDM4EALB
SCHEMBL12091846 0.70 CA12 (0.49) ALDH1A1VKORC1CYP2C9KDM4EALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278436-B2 Glycosylated warfarin analogs and uses thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-10-02 US disclosed
US-20100267655-A1 Glycosylated Warfarin Analogs and Uses Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-10-21 US disclosed
WO-2010014814-A2 GLYCOSYLATED WARFARIN ANALOGS AND USES THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-02-04 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-20100267655-A1 Glycosylated Warfarin Analogs and Uses Thereof GPI, UGGT1, GALE ALDH1A1 1073/4885VKORC1 8/4885CYP2C9 231/4885

“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.