SCHEMBL4336649

SCHEMBL4336649

COc1ccc(COCO)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.59
KDM4E B2RXH2 2/20 0.52
ATM Q13315 2/20 0.52
CA1 P00915 2/20 0.50
CA9 Q16790 2/20 0.50
ALDH1A1 P00352 2/20 0.50
POLB P06746 2/20 0.50
CA12 O43570 1/20 0.50
PPARG P37231 1/20 0.50
PPARD Q03181 1/20 0.50
PPARA Q07869 1/20 0.50
LDHA P00338 1/20 0.50
STAT3 P40763 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 2/20 0.47
ABCB1 P08183 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL29475007 0.88 CA2 (0.68) CA2KDM4EATMALDH1A1POLB
SCHEMBL318036 0.88 CA2 (0.68) CA2KDM4EATMALDH1A1POLB
SCHEMBL5317373 0.85 PTPN1 (0.60) ALDH1A1CYP3A4GAATSHR
SCHEMBL19145278 0.82 CA2 (0.61) CA2KDM4EATMALDH1A1POLB
SCHEMBL435157 0.82 CA2 (0.61) CA2KDM4EATMALDH1A1POLB
SCHEMBL4336643 0.81 CA2 (0.59) CA2KDM4EATMCA1CA9
SCHEMBL7956494 0.81 CA2 (0.59) CA2KDM4EATMALDH1A1POLB
SCHEMBL8073013 0.81 CA2 (0.59) CA2KDM4EATMALDH1A1POLB
SCHEMBL2611659 0.81 CA2 (0.59) CA2KDM4EATMALDH1A1POLB
SCHEMBL8940495 0.80 TSHR (0.60) CA2KDM4ECA1ALDH1A1PPARG

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-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1992605-A1 METHOD OF DEUTERIZING BENZYL-POSITION IN -O-BENZYL GROUP Wako Pure Chemical Industries, Ltd. (JP) 2008-11-19 EP 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-20090036659-A1 METHOD OF DEUTERATING BENZYL-POSITION IN -O-BENZYL GROUP DBH, BRD4, BRD3 CA2 3354/4885KDM4E 755/4885ATM 2312/4885

“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.