SCHEMBL4336643

SCHEMBL4336643

COc1ccc(COC[O])cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
ATM Q13315 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 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
POLB P06746 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
ABCB1 P08183 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
BLM P54132 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
SCHEMBL318036 0.88 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL29475007 0.88 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL19145278 0.82 CA2 (0.61) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL435157 0.82 CA2 (0.61) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL2611659 0.81 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL7956494 0.81 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL4336649 0.81 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL8073013 0.81 CA2 (0.59) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL291363 0.79 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG
SCHEMBL1043967 0.79 CA2 (0.68) CA2ATMKDM4EALDH1A1PPARG

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 3354/4885ATM 2312/4885KDM4E 755/4885

“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.