SCHEMBL1008039

SCHEMBL1008039

C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)OC(C)C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 4/20 0.38
AGTR1 P30556 1/20 0.38
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34

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
SCHEMBL1006937 0.81 CYP3A4 (0.57) CYP3A4MAPTNPSR1ALDH1A1HSD17B10
SCHEMBL1008759 0.79 ALDH1A1 (0.55) CYP3A4MAPTNPSR1ALDH1A1LMNA
Acetone SCHEMBL11800599 0.74 CYP3A4 (0.76) CYP3A4MAPTNPSR1ALDH1A1TSHR
SCHEMBL464613 0.73 CYP3A4 (0.67) CYP3A4MAPTNPSR1ALDH1A1HSD17B10
SCHEMBL21238177 0.72 NPSR1 (0.54) CYP3A4MAPTNPSR1ALDH1A1HSD17B10
SCHEMBL12580005 0.72 CYP3A4 (0.64) CYP3A4MAPTNPSR1ALDH1A1CYP2D6
SCHEMBL12580004 0.72 CYP3A4 (0.64) CYP3A4MAPTNPSR1ALDH1A1CYP2D6
SCHEMBL28662 0.72 CYP3A4 (1.00) CYP3A4MAPTNPSR1ALDH1A1CYP2D6
SCHEMBL24495885 0.71 CYP3A4 (0.52) CYP3A4MAPTNPSR1ALDH1A1CYP2D6
SCHEMBL7160182 0.70 CYP3A4 (0.61) CYP3A4MAPTNPSR1ALDH1A1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2277945-B1 CROSS-LINKABLE POLYMER COMPOSITION, AND MOLDED PRODUCT OF THE COMPOSITION NIPPON KASEI CHEM (JP) 2014-08-27 EP disclosed
US-8445600-B2 Crosslinking agent, and crosslinking polymer composition and molded product formed of the same NIPPON KASEI CHEMICAL COMPANY LIMITED (JP) 2013-05-21 US disclosed
US-20110105687-A1 CROSSLINKING AGENT, AND CROSSLINKING POLYMER COMPOSITION AND MOLDED PRODUCT FORMED OF THE SAME SHINRYO CORPORATION (JP) 2011-05-05 US disclosed
EP-2277945-A1 CROSS-LINKING AGENT, CROSS-LINKABLE POLYMER COMPOSITION, AND MOLDED PRODUCT OF THE COMPOSITION Nippon Kasei Chemical Company Limited (JP) 2011-01-26 EP 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-20110105687-A1 CROSSLINKING AGENT, AND CROSSLINKING POLYMER COMPOSITION AND MOLDED PRODUCT FORMED OF THE SAME TST, H1-0, H1-3 CYP3A4 753/4885MAPT 1403/4885NPSR1 4410/4885

“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.