SCHEMBL3200547

SCHEMBL3200547

Cc1ccc2cccc(B(O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.59
CYP2A6 P11509 4/20 0.59
TDP1 Q9NUW8 1/20 0.45
MAOA P21397 1/20 0.40
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 2/20 0.37
ACHE P22303 3/20 0.37
CA2 P00918 2/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL29951724 1.00 CYP1A2 (0.59) CYP1A2CYP2A6TDP1MAOAMCL1
SCHEMBL3186823 0.84 CYP1A2 (0.59) CYP1A2CYP2A6TDP1ALDH1A1ACHE
SCHEMBL24807944 0.80 CYP2A6 (0.45) CYP1A2CYP2A6CA2CA1
SCHEMBL28477357 0.80 MCL1 (0.55) CYP1A2MCL1MEN1KMT2A
SCHEMBL29091226 0.79 CYP1A2 (0.41) CYP1A2TDP1MAOAALDH1A1ACHE
SCHEMBL28704846 0.78 CYP2A6 (0.43) CYP1A2CYP2A6ALDH1A1CA2CA1
SCHEMBL6117604 0.78 ALDH1A1 (0.61) CYP1A2CYP2A6TDP1MAOAALDH1A1
SCHEMBL29957471 0.78 CTDSP1 (0.58) TDP1ALDH1A1CA2CA1HPGD
SCHEMBL16061157 0.78 CYP1A2 (0.43) CYP1A2CYP2A6ACHECA2CA1
SCHEMBL8781212 0.77 ALDH1A1 (0.59) CYP1A2CYP2A6TDP1MAOAALDH1A1

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 11 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
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 US 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-9956551-B2 Nano-to-nano Fe/ppm Pd catalysis of cross-coupling reactions in water THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-01 US disclosed
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
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
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY 2007-09-13 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 (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 CYP1A2 1320/4885CYP2A6 564/4885TDP1 1995/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 CYP1A2 1320/4885CYP2A6 564/4885TDP1 1995/4885

“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.