SCHEMBL1906558

SCHEMBL1906558

C=CCOc1c(C)cccc1[Si](C)(C)C1c2cc(-c3ccccc3C(C)(C)C)ccc2-c2ccc(-c3ccccc3C(C)(C)C)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.32
TRPA1 O75762 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2C P28335 1/20 0.31
MAPT P10636 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
SCHEMBL1905296 0.93 TRPA1 (0.34) TRPA1
SCHEMBL1905962 0.92 HTR2C (0.35) CXCR5ALDH1A1HTR2CMAPT
SCHEMBL1905756 0.91 TRPA1 (0.33) TRPA1
SCHEMBL1901396 0.90 HTR2C (0.36) CXCR5TRPA1ALDH1A1HTR2CMAPT
SCHEMBL1906523 0.88 TRPA1 (0.32) TRPA1MAPT
SCHEMBL1904364 0.87 TRPA1 (0.31) TRPA1
SCHEMBL1906193 0.86 CXCR5 (0.32) CXCR5
SCHEMBL1904564 0.86 TRPA1 (0.34) TRPA1HTR2CMAPT
SCHEMBL1902561 0.86 MYB (0.34) TRPA1
SCHEMBL1905321 0.86 TRPA1 (0.32) TRPA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118427-A1 Transition Metal Complex And Process For Production Thereof, Olefin Polymerization Catalyst, Process For Production of Polyolefin Resin, And Substituted Fluorene Compound And Process For Production Thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2011-05-19 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-20110118427-A1 Transition Metal Complex And Process For Production Thereof, Olefin Polymerization Catalyst, Process For Production of Polyolefin Resin, And Substituted Fluorene Compound And Process For Production Thereof FIP1L1, FDFT1, COASY CXCR5 4074/4885TRPA1 1305/4885ALDH1A1 1791/4885

“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.