SCHEMBL16459758

SCHEMBL16459758

Cc1ccc(C2=NC(C)(CO)CO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
HRH3 Q9Y5N1 3/20 0.37
CYP2D6 P10635 1/20 0.37
MMP9 P14780 1/20 0.36
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.33
IL2 P60568 1/20 0.32
KMT2A Q03164 1/20 0.32
EEF2K O00418 1/20 0.32

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
SCHEMBL16460189 0.86 LMNA (0.50) LMNAHRH3CYP2D6MAPTHTT
SCHEMBL16459040 0.86 LMNA (0.46) LMNAHRH3CYP2D6MMP9MAPT
SCHEMBL16459165 0.86 LMNA (0.62) LMNAHRH3CYP2D6MMP9MAPT
SCHEMBL16460055 0.86 LMNA (0.46) LMNAHRH3CYP2D6MAPTHTT
SCHEMBL16459397 0.86 LMNA (0.46) LMNAHRH3CYP2D6MMP9MAPT
SCHEMBL12471989 0.85 LMNA (0.66) LMNAHRH3CYP2D6MAPTHTT
SCHEMBL16459638 0.82 LMNA (0.47) LMNAHRH3MAPTHTTSMN1; SMN2
SCHEMBL16475556 0.78 LMNA (0.42) LMNAHRH3CYP2D6MAPTHTT
SCHEMBL2089725 0.78 LMNA (0.39) LMNAHRH3CYP2D6MAPTHTT
SCHEMBL16459946 0.78 LMNA (0.46) LMNAMAPTHTTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-8969585-B2 Method for producing optically active compound or salt thereof NAGASAKI UNIVERSITY (JP) 2015-03-03 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 US disclosed
US-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF NAGASAKI UNIVERSITY (JP) 2014-01-09 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-20140012010-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND OR SALT THEREOF MINK1, MELK, MRPL21 LMNA 1949/4885HRH3 1344/4885CYP2D6 2855/4885

“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.