SCHEMBL6562845

SCHEMBL6562845

CCOC(=O)C(O)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 3/20 0.44
MMP8 P22894 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL6561186 1.00 PIN1 (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28360178 0.85 POLB (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6779283 0.84 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL27540519 0.84 PIN1 (0.49) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL9369385 0.83 PIN1 (0.47) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL15991494 0.80 EDNRB (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL28101975 0.80 EDNRB (0.46) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL10983101 0.75 CHRM2 (0.43) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8624932 0.75 PIN1 (0.41) PIN1MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL6730801 0.75 LMNA (0.43) MEN1KMT2AALDH1A1CYP2D6CYP2C19

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
EP-1248775-B1 METHOD FOR THE ENANTIOSELECTIVE PREPARATION OF 3,3-DIPHENYL-2,3-EPOXY PROPIONIC ACID ESTERS ABBOTT GMBH & CO KG (DE) 2004-03-17 EP disclosed
US-6677465-B2 DIHYDROXYLATION OF 3-PHENYL CINNAMATE BY OSMIUM (VIII) OXIDE CATALYSIS IN PRESENCE OF SHARPLESS LIGAND AND OXIDIZING AGENT, SELECTIVE CONVERSION OF HYDROXY IN 2 POSITION TO LEAVING GROUP, INTRAMOLECULAR SUBSTITUTION TO FORM GLYCIDE ESTER ABBOTT GMBH & CO. KG (DE) 2004-01-13 US disclosed
US-20030162982-A1 Method for the enantioselective preparation of 3,3-diphenyl-2,3-epoxy propionic acid esters ROYALTY PHARMA COLLECTION TRUST 2003-08-28 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-20030162982-A1 Method for the enantioselective preparation of 3,3-diphenyl-2,3-epoxy propionic acid esters ALDH3A1, HAO2, ERGIC1 PIN1 688/4885MEN1 4626/4885KMT2A 3127/4885

“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.