SCHEMBL1006937

SCHEMBL1006937

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.57
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.45
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 5/20 0.39
ALOX15 P16050 1/20 0.39
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL24703554 0.84 KDM4E (0.57) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL1008759 0.83 ALDH1A1 (0.55) CYP3A4MAPTKDM4ENPSR1ALDH1A1
SCHEMBL1008039 0.81 CYP3A4 (0.52) CYP3A4MAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL29860820 0.79 CYP3A4 (0.57) CYP3A4MAPTSMN1; SMN2NPSR1ALDH1A1
Acetone SCHEMBL11800599 0.78 CYP3A4 (0.76) CYP3A4MAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL464613 0.77 CYP3A4 (0.67) CYP3A4MAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL12580005 0.76 CYP3A4 (0.64) CYP3A4MAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL12580004 0.76 CYP3A4 (0.64) CYP3A4MAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL28662 0.76 CYP3A4 (1.00) CYP3A4MAPTSMN1; SMN2KDM4ENPSR1
SCHEMBL22543075 0.73 CYP3A4 (0.46) CYP3A4MAPTSMN1; SMN2NPSR1ALDH1A1

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 8 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-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-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
US-20110105687-A1 CROSSLINKING AGENT, AND CROSSLINKING POLYMER COMPOSITION AND MOLDED PRODUCT FORMED OF THE SAME SHINRYO CORPORATION (JP) 2011-05-05 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 1403/4885SMN1; SMN2 2733/4885

“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.