SCHEMBL5950996

SCHEMBL5950996

BrC1=Cc2cccc(Br)c2C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.43
PIM1 P11309 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CDK5 Q00535 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
GID4 Q8IVV7 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
SCHEMBL16393686 0.78 ADRA2A (0.32)
SCHEMBL1319720 0.78 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL31359427 0.78 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971904 0.78 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2960350 0.75 TRPA1 (0.42) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2965178 0.74 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2481925 0.74 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2973265 0.74 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2971532 0.74 TRPA1 (0.38) TRPA1PIM1CSNK1A1CDK5ROCK1
SCHEMBL2973787 0.74 TRPA1 (0.41) TRPA1PIM1CSNK1A1CDK5ROCK1

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-7019157-B2 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process CHISSO CORPORATION (JP) 2006-03-28 US disclosed
US-20030149200-A1 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process CHISSO PETROCHEMICAL CORPORATION 2003-08-07 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-20030149200-A1 Metallocene compounds, production process for olefin polymers using catalysts containing them and olefin polymers produced by the production process ZYX, MLX, ZFX TRPA1 3151/4885PIM1 1976/4885CSNK1A1 528/4885

“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.