SCHEMBL442754

SCHEMBL442754

COc1c(N)cc(C)c(N)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
CYP3A4 P08684 4/20 0.39
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
TP53 P04637 1/20 0.39
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 0.36
TUBA1C Q9BQE3 2/20 0.36
TUBB6 Q9BUF5 2/20 0.36
TUBB2B Q9BVA1 2/20 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
SCHEMBL30776799 1.00 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1MAPK1
Hydrochloric Acid SCHEMBL8534995 0.98 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1MAPK1
Hydrochloric Acid SCHEMBL8537064 0.98 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL9489660 0.87 POLB (0.44) ALDH1A1CYP3A4TSHRTDP1MAPK1
Anisole SCHEMBL11145281 0.84 CA4 (0.45) ALDH1A1CYP3A4TDP1MAPK1TUBB4A
SCHEMBL18719355 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL27967338 0.84 ALDH1A1 (0.40) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL3005373 0.84 CYP3A4 (0.40) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL8034663 0.82 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1MAPK1
SCHEMBL5177958 0.80 ACHE (0.40) ALDH1A1CYP3A4TSHRTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8465552-B2 Thickened hair colors ISP INVESTMENTS, INC. (US) 2013-06-18 US claimed
US-20120317734-A1 THICKENED HAIR COLORS ISP INVESTMENTS INC. (US) 2012-12-20 US claimed
EP-0459900-B2 Process for dyeing of keratinic fibres with 2,4-diamino-1,3-dimethoxybenzene in an acid medium and composition using this process OREAL (FR) 2002-08-28 EP claimed
EP-0853471-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES, AND DYEING METHOD USING SAME OREAL (FR) 2001-10-31 EP claimed
WO-1999066889-A1 NEW COUPLING COMPONENTS FOR OXIDATION HAIR COLOURING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1999-12-29 WO claimed
US-6004356-A HAIR DYES L'OREAL (FR) 1999-12-21 US claimed
US-5938792-A APPLYING TO KERATINOUS FIBERS UNDER BASIC CONDITIONS COMPOSITION COMPRISING AMINOINDOLE COUPLER, OXIDATION DYE PRECURSOR, OXIDIZING AGENT L'OREAL (FR) 1999-08-17 US claimed
US-5900028-A Oxidation dye composition for keratin fibres comprising 2-amino-3-hydroxypyridine and a P-phenylenediamine or P-aminophenol oxidation base, and dyeing process L 'OREAL (FR) 1999-05-04 US claimed
EP-0663814-B1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR OREAL (FR) 1999-04-28 EP claimed
EP-0630642-B1 Naphthol couplers BRISTOL MYERS SQUIBB CO (US) 1998-08-12 EP claimed
US-4891045-A DYEING HAIR L'OREAL (FR) 1990-01-02 US claimed
US-4865619-A Use, as a coupler, of 2,4-diamino-1,3-dimethoxybenzene or one of its salts, in combination with oxidation dye precursors, for dyeing human hair, hair dyeing composition containing the said coupler and process for preparing the said coupler L'OREAL (FR) 1989-09-12 US claimed
US-4865618-A New chloro-meta-phenylenediamines, their use as couplers in the oxidation dyeing of keratinous fibres, dyeing compositions for hair containing these compounds and dyeing process using the said L'OREAL (FR) 1989-09-12 US claimed
US-4865617-A Dyeing compositions for keratinous fibres, especially for human hair, containing oxidation dye precursors and heterocyclic couplers L'OREAL (FR) 1989-09-12 US claimed
EP-0295474-A1 Chlorometaphenylenediamines, their use as coupling agents in oxydation colouring of keratinic fibres, colourity compositions for hair containing these compounds and colouring process using these compositions L'OREAL (FR) 1988-12-21 EP claimed
EP-0294669-A1 Metaphenylendiamines, process for their preparation, intermediate compounds and use of these metaphenylendiamines as couplers in oxydative colouring of keratinic fibres especially of human hair L'OREAL (FR) 1988-12-14 EP claimed
US-4692166-A OXIDATION COLOR DYES USED WITH DIAMINOBENZENES OR AMINO PHENOLS; MINIMIZATION OF RED HUE L'OREAL (FR) 1987-09-08 US claimed
US-4563188-A SHADES OF GREEN L'OREAL (FR) 1986-01-07 US claimed
US-4324553-A OXIDATION COLOR DYES L'OREAL (FR) 1982-04-13 US claimed
US-4323360-A Dyeing compositions for hair which contain 2,4-diamino-butoxybenzene and/or a salt thereof as the coupling agent L'OREAL (FR) 1982-04-06 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-20120317734-A1 THICKENED HAIR COLORS KRT18, PLOD3, PLOD1 ALDH1A1 1954/4885CYP3A4 1106/4885TSHR 3482/4885

“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.