SCHEMBL12636636

SCHEMBL12636636

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OCCOCn1cnc2c(=O)[nH]c(N)nc21)OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.49
CNR1 P21554 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HBB P68871 2/20 0.44
MAPK1 P28482 1/20 0.44
F2 P00734 3/20 0.41
PNP P00491 7/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
EDNRA P25101 1/20 0.39
HTR2A P28223 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HPRT1 P00492 3/20 0.37
TDP1 Q9NUW8 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
SCHEMBL12636642 0.94 MEN1 (0.49) CNR2CNR1MEN1KMT2AHBB
SCHEMBL12636652 0.86 MEN1 (0.49) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12636629 0.86 MEN1 (0.54) MEN1KMT2AHBBMAPK1F2
SCHEMBL12636647 0.85 MEN1 (0.52) CNR1MEN1KMT2AHBBMAPK1
SCHEMBL1880253 0.85 MEN1 (0.52) CNR1MEN1KMT2AHBBMAPK1
SCHEMBL12636648 0.85 MEN1 (0.52) CNR1MEN1KMT2AHBBMAPK1
SCHEMBL12636693 0.84 MEN1 (0.61) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12636635 0.81 MEN1 (0.54) MEN1KMT2AHBBMAPK1PNP
SCHEMBL12671790 0.81 MEN1 (0.60) MEN1KMT2AHBBMAPK1PNP
SCHEMBL1898365 0.81 MEN1 (0.45) CNR1MEN1KMT2AHBBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 US disclosed
US-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 CNR2 1702/4885CNR1 1239/4885MEN1 1850/4885

“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.