SCHEMBL3199887

SCHEMBL3199887

O=C1CCc2cc3c(nc21)C(=O)CC3

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HSD17B1 P14061 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL3201833 0.85 KMT2A (0.44) HSD17B10HSD17B1ALDH1A1
SCHEMBL528472 0.72 GAA (0.42) ALDH1A1
SCHEMBL23376841 0.70 PBRM1 (0.38) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL22852089 0.70 PBRM1 (0.34) PBRM1CASP1CASP7HSD17B10
SCHEMBL10187270 0.70 CASP1 (0.38) PBRM1CASP1CASP7HSD17B10ALDH1A1
SCHEMBL24858516 0.70 PBRM1 (0.34) PBRM1CASP1CASP7HSD17B10HSD17B1
SCHEMBL527664 0.70 PBRM1 (0.34) PBRM1CASP1CASP7HSD17B10
SCHEMBL24490882 0.70 PBRM1 (0.34) PBRM1CASP1CASP7HSD17B10
SCHEMBL527206 0.70 S100A4 (0.42) PBRM1CASP1CASP7HSD17B10CYP1A2
SCHEMBL1915232 0.69 KMT2A (0.41) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773895-B1 CATALYSTS FOR OLEFIN POLYMERIZATION OR OLIGOMERIZATION DU PONT (US) 2011-12-28 EP disclosed
US-7683149-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-03-23 US disclosed
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2008-11-20 US disclosed
US-7442819-B2 Catalysts for olefin polymerization or oligomerization E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-10-28 US disclosed
US-20060009597-A1 Catalysts for olefin polymerization or oligomerization DUPONT POLYMERS, INC. 2006-01-12 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 (2 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-20060009597-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 PBRM1 159/4885CASP1 3387/4885CASP7 3860/4885
US-20080287621-A1 Catalysts for olefin polymerization or oligomerization PPOX, HMOX1, NOD2 PBRM1 159/4885CASP1 3387/4885CASP7 3860/4885

“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.