SCHEMBL16458474

SCHEMBL16458474

CC1(CO)COC(c2ccccc2I)=N1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 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
SCHEMBL12471989 0.78 LMNA (0.66) LMNAKDM4EALDH1A1HTT
SCHEMBL16460055 0.76 LMNA (0.46) LMNAKDM4EHTT
SCHEMBL16459165 0.76 LMNA (0.62) LMNAKDM4EHTT
SCHEMBL16459876 0.73 LMNA (0.38) LMNAKDM4EALDH1A1
SCHEMBL16475554 0.72 LMNA (0.39) LMNAKDM4EALDH1A1
SCHEMBL16459946 0.71 LMNA (0.46) LMNAKDM4EALDH1A1HTT
SCHEMBL16459758 0.71 LMNA (0.47) LMNAKDM4EALDH1A1HTT
SCHEMBL16459658 0.71 HPGD (0.39) LMNAKDM4EALDH1A1
SCHEMBL23480876 0.70 LMNA (0.46) LMNAKDM4EALDH1A1HTT
SCHEMBL16459397 0.70 LMNA (0.46) LMNAKDM4EALDH1A1HTTATM

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 1949/4885KDM4E 3282/4885ALDH1A1 1609/4885

“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.