SCHEMBL2964294

SCHEMBL2964294

Brc1ccc2cc(C3C=Cc4ccccc43)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM1A O60341 1/20 0.31
RCOR1 Q9UKL0 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPK1 P28482 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL2971420 0.95 CYP2A6 (0.43) CYP2A6KDM4EMEN1ALDH1A1MAPT
SCHEMBL15814919 0.87 KDM4E (0.46) CYP2A6KDM4EKDM1ACYP1A2
SCHEMBL2966222 0.86 CYP2A6 (0.47) CYP2A6KDM4EKDM1ARCOR1CYP1A2
SCHEMBL2958359 0.86 CYP2A6 (0.47) CYP2A6KDM4EKDM1ARCOR1CYP1A2
SCHEMBL27999787 0.85 KDM4E (0.41) KDM4EALDH1A1KDM1A
SCHEMBL28025942 0.85 KDM4E (0.45) CYP2A6KDM4EKDM1ACYP1A2
SCHEMBL29367743 0.83 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM1ARCOR1
SCHEMBL17386771 0.83 MEN1 (0.36) MEN1ALDH1A1KMT2AKDM1ARCOR1
SCHEMBL2969185 0.80 CYP2A6 (0.31) CYP2A6CYP1A2MAPK1
SCHEMBL2972717 0.80 CYP2A6 (0.31) CYP2A6

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 CYP2A6 2465/4885KDM4E 2177/4885MEN1 750/4885

“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.