SCHEMBL2969598

SCHEMBL2969598

Cc1cccc(C2=Cc3cccc(Br)c3C2)c1C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TRPA1 O75762 1/20 0.34
PTGS2 P35354 1/20 0.33
PIM1 P11309 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CDK5 Q00535 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1A Q13627 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP11 Q9NR21 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
SCHEMBL2962318 0.75 TRPA1 (0.34) ALDH1A1TRPA1
SCHEMBL2971419 0.75 SLC6A3 (0.38) TRPA1PTGS2PIM1CSNK1A1CDK5
SCHEMBL1319720 0.72 TRPA1 (0.41) ALDH1A1TRPA1PIM1CSNK1A1CDK5
SCHEMBL31359427 0.72 TRPA1 (0.41) ALDH1A1TRPA1PIM1CSNK1A1CDK5
SCHEMBL2973787 0.71 TRPA1 (0.41) ALDH1A1TRPA1PIM1CSNK1A1CDK5
SCHEMBL2973423 0.71 ALDH1A1 (0.36) ALDH1A1TRPA1PIM1CSNK1A1CDK5
SCHEMBL2968310 0.71 TRPA1 (0.36) TRPA1
SCHEMBL2963950 0.71 TRPA1 (0.33) ALDH1A1TRPA1PTGS2
SCHEMBL27500387 0.70 TRPA1 (0.32) ALDH1A1TRPA1PARP10PARP11
SCHEMBL2975911 0.70

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 ALDH1A1 4332/4885TRPA1 438/4885PTGS2 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.