SCHEMBL454407

SCHEMBL454407

CC=Cc1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.39
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 7/20 0.34
HMGCR P04035 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALOX15 P16050 3/20 0.33
THRB P10828 3/20 0.33
RECQL P46063 3/20 0.33
POLB P06746 2/20 0.33
PKM P14618 2/20 0.33
CYP19A1 P11511 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TSHR P16473 3/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL29090092 1.00 CASP1 (0.39) CASP1ALDH1A1CYP3A4HMGCRTDP1
SCHEMBL454405 1.00 CASP1 (0.39) CASP1ALDH1A1CYP3A4HMGCRTDP1
Hydrochloric Acid SCHEMBL6307096 0.98 CASP1 (0.38) CASP1ALDH1A1CYP3A4HMGCRTDP1
Hydrochloric Acid SCHEMBL6307103 0.98 CASP1 (0.38) CASP1ALDH1A1CYP3A4HMGCRTDP1
SCHEMBL22019510 0.82 CASP1 (0.44) CASP1ALDH1A1CYP3A4HMGCRTDP1
SCHEMBL13495488 0.82 CASP1 (0.44) CASP1ALDH1A1CYP3A4HMGCRTDP1
SCHEMBL16307869 0.80 CYP3A4 (0.50) ALDH1A1CYP3A4HMGCRTDP1ALOX15
SCHEMBL29202693 0.78 ESR2 (0.40) ALDH1A1CYP3A4TDP1ALOX15THRB
SCHEMBL28897927 0.78 HMGCR (0.41) CYP3A4HMGCRNOS2
SCHEMBL11794717 0.77 HMGCR (0.44) CASP1ALDH1A1CYP3A4HMGCRPOLB

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 176 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678158-B2 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions THE PROCTER & GAMBLE COMPANY (US) 2010-03-16 US claimed
EP-1752192-B1 Oxidizing hair coloring agents containing m-Aminophenol derivatives PROCTER & GAMBLE (US) 2010-02-03 EP claimed
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS LIM MU LLL 2009-06-11 US claimed
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-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US claimed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 EP claimed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 US claimed
US-12133906-B2 Delivery particle THE PROCTER & GAMBLE COMPANY (US) 2024-11-05 US disclosed
US-20220409497-A1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2022-12-29 US disclosed
EP-3733827-A1 DELIVERY PARTICLES The Procter & Gamble Company (US) 2020-11-04 EP disclosed
EP-2563508-B1 DELIVERY PARTICLE PROCTER & GAMBLE (US) 2019-07-10 EP disclosed
EP-1642563-B1 Method of rapid hair dyeing NOXELL CORP (US) 2019-06-26 EP disclosed
WO-2004108102-A1 HAIR COLOURING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2004-12-16 WO disclosed
EP-1484048-A1 Hair colouring compositions The Procter & Gamble Company (US) 2004-12-08 EP disclosed
US-20040237218-A1 Hair colouring compositions WELLA OPERATIONS US, LLC 2004-12-02 US disclosed
EP-1351921-B1 NOVEL 1,4-DIAMINO-2-ALKENYL-BENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-12-01 EP disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 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 (6 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-20220409497-A1 DELIVERY PARTICLE LIPA, CHMP4B, SLC46A1 CASP1 2339/4885ALDH1A1 1476/4885CYP3A4 3163/4885
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 CASP1 550/4885ALDH1A1 5/4885CYP3A4 441/4885
US-20090144914-A1 COMPOSITIONS FOR OXIDATIVELY DYEING KERATIN FIBERS AND METHODS FOR USING SUCH COMPOSITIONS KRT18, AKR7A2, AKR1C4 CASP1 3160/4885ALDH1A1 205/4885CYP3A4 2154/4885
US-12133906-B2 Delivery particle LIPA, CHMP4B, SLC46A1 CASP1 2339/4885ALDH1A1 1476/4885CYP3A4 3163/4885
US-20040237218-A1 Hair colouring compositions COXFA4L2, CYBA, MT-CO3 CASP1 2482/4885ALDH1A1 436/4885CYP3A4 3182/4885
US-20070209123-A1 Compositions for oxidatively dyeing keratin fibers and methods for using such compositions KRT18, AKR7A2, AKR1C4 CASP1 3160/4885ALDH1A1 205/4885CYP3A4 2154/4885

“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.