SCHEMBL4016319

SCHEMBL4016319

CC1=C(c2cc(C)cc(C)c2N)C(=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TYMS P04818 1/20 0.35
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
SIRT2 Q8IXJ6 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL78889 0.76 TDP1 (0.41) KDM4ETYMSALDH1A1TP53CYP3A4
SCHEMBL78155 0.72 ACHE (0.35) KDM4ETYMSSIRT2
SCHEMBL23932622 0.72 KDM4E (0.48) KDM4EALDH1A1TP53CYP3A4TSHR
SCHEMBL4017362 0.70 KDM4E (0.34) KDM4EALDH1A1TP53CYP3A4TSHR
SCHEMBL79135 0.68 BRD4 (0.43) KDM4ETYMSALDH1A1CYP3A4TDP1
SCHEMBL78707 0.67 MAPK14 (0.36) KDM4EALDH1A1CASP1CASP7HSD17B10
SCHEMBL77529 0.67 ALDH1A1 (0.37) TYMSALDH1A1HSD17B10
SCHEMBL1508681 0.66 TYMS (0.46) KDM4ETYMSALDH1A1SIRT2HSD17B10
SCHEMBL30832653 0.66 TYMS (0.46) KDM4ETYMSALDH1A1SIRT2HSD17B10
SCHEMBL27907963 0.65 ALDH1A1 (0.46) KDM4EALDH1A1TP53CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531608-B2 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2009-05-12 US disclosed
WO-2007007991-A1 TRANSITION METAL COMPLEXES, CATALYST COMPOSITIONS CONTAINING THE SAME, OLEFIN POLYMERIZATION USING THE CATALYST COMPOSITIONS LG CHEM, LTD. (KR) 2007-01-18 WO disclosed
US-20070010638-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions LG CHEM, LTD. (KR) 2007-01-11 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-20070010638-A1 Transition metal complexes, catalyst compositions containing the same, and olefin polymerization using the catalyst compositions CPNE4, AOC2, ODC1 KDM4E 2895/4885TYMS 1588/4885ALDH1A1 4020/4885

“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.