SCHEMBL1979957

SCHEMBL1979957

COc1c(N)ccc(N)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
TSHR P16473 3/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 11/20 0.39
TDP1 Q9NUW8 6/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ADRA2B P18089 1/20 0.37
PTGS1 P23219 1/20 0.37
IDO1 P14902 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 2/20 0.36
EP300 Q09472 1/20 0.35
KAT8 Q9H7Z6 1/20 0.35
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35

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
SCHEMBL8293654 0.85 TUBB1 (0.41) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL5270603 0.85 POLB (0.41) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL25009959 0.83 ALDH1A1 (0.48) CYP3A4TSHRALDH1A1TDP1HSD17B10
SCHEMBL854840 0.81 ALDH1A1 (0.44) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL22833321 0.81 CYP3A4 (0.37) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL26654609 0.81 ALOX5AP (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL25033158 0.81 ALOX5AP (0.39) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL21508511 0.81 ALDH1A1 (0.45) CYP3A4TSHRPIK3CAALDH1A1TDP1
SCHEMBL8304430 0.81 ALDH1A1 (0.45) CYP3A4TSHRPIK3CAALDH1A1TDP1
Hydrochloric Acid SCHEMBL8173396 0.80 ALDH1A1 (0.43) CYP3A4TSHRPIK3CAALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP claimed
EP-1760072-A1 1,3-diaminobenzene derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-07 EP claimed
US-7125427-B2 Coloring agent for keratin fibers WELLA AG (DE) 2006-10-24 US claimed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US claimed
US-7056347-B2 Coloring agents for keratin fibers containing (1,1′-biphenyl)-2,4-diamine derivatives in addition to novel (1,1′-biphenyl)-2,4-diamine-derivatives WELLA AG (DE) 2006-06-06 US claimed
US-6558433-B2 Oxidation hair dye WELLA AG (DE) 2003-05-06 US claimed
US-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same Wella GmbH (DE) 2003-03-06 US claimed
US-6461390-B1 Process for making 2-aminomethyl-1, 4-diaminobenzene and its salts and compositions and methods for dyeing keratin fibers using same WELLA AKTIENGESELLSCHAFT (DE) 2002-10-08 US claimed
US-12383482-B2 Hair coloring compositions WELLA GERMANY GMBH (DE) 2025-08-12 US disclosed
US-20240024218-A1 HAIR COLORING COMPOSITIONS WELLA GERMANY GMBH (DE) 2024-01-25 US disclosed
US-11378457-B1 Hair colorant assessment, selection and formulation system Innovative Beauty LLC (US) 2022-07-05 US disclosed
CN-111544316-B Fibroin nanofiber-bamboo leaf flavonoid composite material and application thereof in cosmetics 烟台新时代健康产业日化有限公司 2022-04-15 CN disclosed
CN-113613732-A Liquid hair dye composition 花王株式会社 2021-11-05 CN disclosed
WO-1998027943-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-07-02 WO disclosed
WO-1997024105-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024107-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024108-A1 HAIR BLEACHING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024106-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
EP-0179019-A1 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1986-04-23 EP 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 (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-20030041392-A1 Process for making 1,4-diamino-2-methoxymethylbenzene and salts thereof and compositions and methods for dyeing keratin fibers containing same KRT18, SCNN1B, DDAH1 CYP3A4 1015/4885TSHR 4501/4885PIK3CA 2062/4885

“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.