SCHEMBL3199130

SCHEMBL3199130

Cc1ccc(B(O)O)c(C)c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.40
TRPA1 O75762 2/20 0.37
CA2 P00918 2/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ATM Q13315 1/20 0.32
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
SENP1 Q9P0U3 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 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
SCHEMBL9923786 0.82 ALDH1A1 (0.43) ALDH1A1CYP1A2TRPA1CA2LPL
SCHEMBL7242031 0.80 TRPA1 (0.37) ALDH1A1CYP1A2TRPA1CA2LPL
SCHEMBL7776316 0.80 TRPA1 (0.37) ALDH1A1CYP1A2TRPA1CA2LPL
SCHEMBL911111 0.79 CA2 (0.36) CYP1A2TRPA1CA2LPLLIPG
SCHEMBL3938364 0.78 CA2 (0.43) CA2LPLLIPGCA1
SCHEMBL19171723 0.76 ERN1 (0.38) CA2LPLLIPG
SCHEMBL23915 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2TRPA1CA2HTR1D
SCHEMBL29407125 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2TRPA1CA2HTR1D
SCHEMBL15485256 0.75 ALDH1A1 (0.53) ALDH1A1CYP1A2TRPA1CA2HTR1D
SCHEMBL5917526 0.73 CA2 (0.37) CA2LPLLIPGHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US claimed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP claimed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 WO claimed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US claimed
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US disclosed
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 US disclosed
US-7507262-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2009-03-24 US disclosed
EP-2018146-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS The Procter and Gamble Company (US) 2009-01-28 EP disclosed
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US disclosed
WO-2007102126-A2 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2007-09-13 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-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885CYP1A2 1320/4885TRPA1 1197/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 ALDH1A1 205/4885CYP1A2 1320/4885TRPA1 1197/4885

“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.