SCHEMBL2962293

SCHEMBL2962293

Brc1ccc2c3c(ccc2c1)C=CC3

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
CYP2A6 P11509 2/20 0.36
AHR P35869 2/20 0.36
SIRT1 Q96EB6 1/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
DPP4 P27487 2/20 0.34
NR4A2 P43354 1/20 0.32
NCEH1 Q6PIU2 2/20 0.32
SIRT2 Q8IXJ6 3/20 0.31
PLAU P00749 1/20 0.31
PIM3 Q86V86 1/20 0.31
BACE1 P56817 1/20 0.31
ACHE P22303 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
SCHEMBL2971275 0.87 AHR (0.37) CYP2A6AHRMAPTKDM4EALDH1A1
SCHEMBL4446584 0.75 CYP2A6 (0.41) CYP2A6KDM4EALDH1A1
SCHEMBL29399101 0.73 HSD17B10 (0.44) CYP2A6SIRT1MAPTKDM4EALDH1A1
SCHEMBL2290546 0.73 HSD17B10 (0.44) CYP2A6SIRT1MAPTKDM4EALDH1A1
SCHEMBL4846808 0.73 ALDH1A1 (0.39) CYP2A6AHRMAPTKDM4EALDH1A1
SCHEMBL12501673 0.72 HNF4A (0.37) MEN1KMT2A
SCHEMBL9938343 0.72 PLAU (0.36) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL4376673 0.72 HNF4A (0.37) MEN1KMT2A
SCHEMBL31450268 0.72 HSD17B10 (0.42) CYP2A6SIRT1MAPTKDM4EALDH1A1
Benzene SCHEMBL1724439 0.72 HSD17B10 (0.42) CYP2A6SIRT1MAPTKDM4EALDH1A1

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-7763562-B2 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-07-27 US disclosed
US-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
WO-2006065809-A2 HETEROATOM BRIDGED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-06-22 WO 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-20070135597-A1 Heteroatom bridged metallocene compounds for olefin polymerization AP2M1, AP1M1, PYM1 ERN1 4562/4885CYP2A6 2465/4885AHR 991/4885

“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.