SCHEMBL2973265

SCHEMBL2973265

COC1=Cc2cccc(Br)c2C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.31
PTGS2 P35354 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK1A1 P48729 1/20 0.30
CDK5 Q00535 1/20 0.30
ROCK1 Q13464 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
DYRK1B Q9Y463 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
SCHEMBL31359427 0.75 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL1319720 0.75 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL5950996 0.74 TRPA1 (0.43) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2960350 0.72 TRPA1 (0.42) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971904 0.71 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2965178 0.70 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2481925 0.70 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971532 0.70 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2959751 0.70 ACHE (0.35) PTGS2
SCHEMBL8031056 0.68 PTGS2 (0.53) TRPA1KDM4EPTGS2

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 2 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

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 TRPA1 438/4885KDM4E 2177/4885PTGS2 4150/4885

“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.