SCHEMBL895648

SCHEMBL895648

C=CCCCC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
FAAH O00519 1/20 0.39
STS P08842 2/20 0.38
ABL1 P00519 1/20 0.38
RIN1 Q13671 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP30 Q70CQ3 3/20 0.37
NR1H2 P55055 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
SCHEMBL895126 0.94 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL23850295 0.94 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL895125 0.94 KMT2A (0.53) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL895798 0.85 HPGD (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2675605 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL2675610 0.84 KMT2A (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL586866 0.81 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL586865 0.81 KMT2A (0.56) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL25833021 0.80 FAAH (0.47) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL31075975 0.78 USP30 (0.45) KMT2AMEN1ALDH1A1MAPTHPGD

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-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 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-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 KMT2A 1554/4885MEN1 2806/4885ALDH1A1 1326/4885

“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.