SCHEMBL2967043

SCHEMBL2967043

CC1=CC(c2cccc(C)c2C)c2ccc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
CYP1A2 P05177 1/20 0.37
HTR2C P28335 3/20 0.35
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
KDM4E B2RXH2 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
RAPGEF4 Q8WZA2 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
SCHEMBL2964518 0.89 HTR2C (0.34) MAPK1CYP1A2HTR2CHTR2AHTR2B
SCHEMBL2975585 0.89 MAPK1 (0.41) MAPK1CYP1A2HTR2CHTR2AALDH1A1
SCHEMBL2959907 0.79 CYP1A2 (0.39) MAPK1CYP1A2HTR2CHTR2AALDH1A1
SCHEMBL2962283 0.78 MAPK1 (0.39) MAPK1CYP1A2HTR2CHTR2AHTR2B
SCHEMBL2976847 0.76 RAPGEF4 (0.35) MAPK1CYP1A2ALDH1A1EDNRBEDNRA
SCHEMBL2963096 0.76 TP53 (0.35) MAPK1CYP1A2HTR2CHTR2AALDH1A1
SCHEMBL2962936 0.75 HTR2C (0.35) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL2971514 0.74 ALDH1A1 (0.39) MAPK1CYP1A2ALDH1A1EDNRBEDNRA
SCHEMBL2959658 0.74 PBRM1 (0.38) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL2973694 0.74 CYP1A2 (0.35) MAPK1CYP1A2EDNRBEDNRA

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 MAPK1 3118/4885CYP1A2 2409/4885HTR2C 2725/4885

“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.