SCHEMBL2135992

SCHEMBL2135992

C=Cc1ccc(B(O)O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.38
LCK P06239 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
NQO2 P16083 2/20 0.35
RELA Q04206 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PTGS2 P35354 1/20 0.34
RAB9A P51151 1/20 0.34
TUBB4A P04350 3/20 0.34
TUBB P07437 3/20 0.34
TUBA3C P0DPH7 3/20 0.34
TUBA1B P68363 3/20 0.34
TUBA4A P68366 3/20 0.34
TUBB4B P68371 3/20 0.34
TUBB3 Q13509 3/20 0.34
TUBB2A Q13885 3/20 0.34

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
SCHEMBL31452766 0.85 ALDH1A1 (0.46) TRPA1ALDH1A1TDP1TP53ESR1
SCHEMBL4734817 0.78 KDM4E (0.42) TRPA1ALDH1A1TDP1TP53ESR1
SCHEMBL29403669 0.75 LCK (0.64) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL170797 0.75 LCK (0.64) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL29502822 0.75 TRPA1 (0.52) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL29505021 0.74 TRPA1 (0.52) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL196749 0.74 TRPA1 (0.52) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL28069475 0.73 TRPA1 (0.36) TRPA1ALDH1A1TDP1TP53TUBB4A
SCHEMBL2828623 0.71 TRPA1 (0.48) TRPA1ALDH1A1TDP1TP53LCK
SCHEMBL23209631 0.71 TYR (0.48) TRPA1ALDH1A1KDM4EPTGS2RAB9A

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-9956542-B2 Method for preparing molecularly imprinted polymers (MIP) through radical polymerisation Universite de Technologie de Compiegne—UTC (FR) 2018-05-01 US claimed
EP-2342247-B1 METHOD FOR PREPARING MOLECULAR IMPRINT POLYMERS (PEM) BY RADICAL POLYMERISATION UNIVERSITÉ DE TECHNOLOGIE DE COMPIÈGNE UTC (FR) 2016-01-27 EP claimed
US-20120100358-A1 METHOD FOR PREPARING MOLECULARLY IMPRINTED POLYMERS (MIP) THROUGH RADICAL POLYMERISATION UNIVERSITE DE TECHNOLOGIE DE COMPIEGNE - UTC (FR) 2012-04-26 US claimed

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-20120100358-A1 METHOD FOR PREPARING MOLECULARLY IMPRINTED POLYMERS (MIP) THROUGH RADICAL POLYMERISATION MIF, CCL2, DNMT1 TRPA1 2451/4885ALDH1A1 1172/4885TDP1 2087/4885

“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.