SCHEMBL2962768

SCHEMBL2962768

CC1=CC(c2ccc3ccccc3c2)c2ccc(Br)cc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.44
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
DHODH Q02127 1/20 0.34
EGFR P00533 2/20 0.34
ERBB2 P04626 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
DRD2 P14416 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 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
SCHEMBL2963692 0.89 CYP2A6 (0.44) CYP2A6KDM1ARCOR1KDM4EDHODH
SCHEMBL2962283 0.83 MAPK1 (0.39) KDM1ACYP1A2MAPK1TDP1HTR2C
SCHEMBL2971514 0.80 ALDH1A1 (0.39) KDM4ECYP1A2MAPK1
SCHEMBL2959907 0.78 CYP1A2 (0.39) CYP2A6KDM1AKDM4ECYP1A2MAPK1
SCHEMBL2965300 0.77 KDM4E (0.36) CYP2A6KDM4ETDP1SLC6A4SLC6A2
SCHEMBL2963793 0.77 SLC6A4 (0.38) CYP2A6KDM4ETDP1SLC6A4SLC6A2
SCHEMBL2975585 0.76 MAPK1 (0.41) CYP1A2MAPK1SLC6A4SLC6A2HTR2C
SCHEMBL2967043 0.72 MAPK1 (0.37) KDM4ECYP1A2MAPK1HTR2CHTR2B
SCHEMBL2973699 0.71 NPC1 (0.40) KDM4EMAPK1EGFRSLC6A4SLC6A2
SCHEMBL2975608 0.71 MEN1 (0.36) CYP1A2MAPK1SLC6A4SLC6A2SLC6A3

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 2465/4885KDM1A 3280/4885RCOR1 2210/4885

“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.