SCHEMBL2961795

SCHEMBL2961795

Cc1cc(Br)c2c(c1)C=CC2c1cccc2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.33
ERBB2 P04626 4/20 0.33
CYP2A6 P11509 2/20 0.33
KDM1A O60341 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SLC6A4 P31645 2/20 0.31
MMP2 P08253 3/20 0.31
MMP9 P14780 3/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL2975609 0.83 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2962529 0.81 KDM1A (0.37) EGFRERBB2KDM1ACYP1A2ALDH1A1
SCHEMBL2974786 0.81 TRPM2 (0.35) EGFRERBB2CYP2A6KDM1ACYP1A2
SCHEMBL2967545 0.81 HTR2C (0.33)
SCHEMBL2959653 0.80 EGFR (0.33) EGFRERBB2CYP2A6KDM1ACYP1A2
SCHEMBL2959777 0.80 KDM1A (0.33) CYP2A6KDM1ACYP1A2ALDH1A1SLC6A4
SCHEMBL2967939 0.77 MAOB (0.33) MAOB
SCHEMBL2960040 0.77 CYP2A6 (0.36) CYP2A6KDM1ACYP1A2ALDH1A1SLC6A4
SCHEMBL2968703 0.77 CYP2A6 (0.36) CYP2A6KDM1ACYP1A2ALDH1A1SLC6A4
SCHEMBL2964528 0.77 KDM4E (0.38) EGFRERBB2CYP2A6SLC6A4MMP2

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 EGFR 132/4885ERBB2 168/4885CYP2A6 2465/4885

“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.