SCHEMBL10018307

SCHEMBL10018307

CC(C)(CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)SCCO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
EPHX2 P34913 1/20 0.43
CASP3 P42574 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FABP7 O15540 1/20 0.37
FABP5 Q01469 1/20 0.37

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
SCHEMBL10018302 0.84 KMT2A (0.47) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL10018272 0.84 KMT2A (0.41) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL30421778 0.82 KMT2A (0.57) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL30896041 0.82 KMT2A (0.57) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL14957061 0.82 KMT2A (0.57) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL15434690 0.81 KMT2A (0.53) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL24769841 0.81 KMT2A (0.57) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL15434624 0.79 KMT2A (0.51) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL29523575 0.78 KMT2A (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL22188058 0.78 KMT2A (0.55) KMT2AEPHX2CASP3MDM4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-07 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-20120142763-A1 NUCLEIC ACID DELIVERY COMPOSITIONS AND METHODS OF USE THEREOF NSUN3, NSUN2, DIS3 KMT2A 2214/4885EPHX2 3536/4885CASP3 2137/4885

“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.