SCHEMBL501840

SCHEMBL501840

[O-][S+](C=CCBr)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MAOB P27338 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
SCHEMBL6912142 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6912141 0.79 ALDH1A1 (0.32) ALDH1A1
SCHEMBL19822525 0.76 CYP2A6 (0.31)
SCHEMBL777022 0.71
SCHEMBL777021 0.71
SCHEMBL10637447 0.70 MAOA (0.38) ALDH1A1MAOB
SCHEMBL6915888 0.70 MAOB (0.44) TRPA1ALDH1A1MAOB
SCHEMBL6915884 0.70 MAOB (0.44) TRPA1ALDH1A1MAOB
SCHEMBL21048436 0.69 XPO1 (0.52) TRPA1ALDH1A1MAOB
SCHEMBL19822504 0.69 XPO1 (0.52) TRPA1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 US disclosed
EP-1786859-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2011-06-08 EP disclosed
US-20070257234-A1 Stabilization of Organic Materials CIBA CORPORATION 2007-11-08 US disclosed
EP-1786859-A2 STABILIZATION OF ORGANIC MATERIALS Ciba SC Holding AG (CH) 2007-05-23 EP disclosed
WO-2006024610-A2 STABILIZATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-03-09 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 (2 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-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 TRPA1 122/4885ALDH1A1 6/4885TSHR 4649/4885
US-20070257234-A1 Stabilization of Organic Materials LPO, SOD1, GPX1 TRPA1 132/4885ALDH1A1 6/4885TSHR 4547/4885

“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.