SCHEMBL2529901

SCHEMBL2529901

COc1cc(N)cc(N)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
CYP19A1 P11511 3/20 0.46
NQO2 P16083 1/20 0.46
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CA9 Q16790 1/20 0.44
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 0.43
TUBB3 Q13509 3/20 0.43
TUBB2A Q13885 3/20 0.43
TUBB8 Q3ZCM7 3/20 0.43
TUBA3E Q6PEY2 3/20 0.43
TUBA1A Q71U36 3/20 0.43
TUBA1C Q9BQE3 3/20 0.43
TUBB6 Q9BUF5 3/20 0.43
TUBB2B Q9BVA1 3/20 0.43

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
Hydrochloric Acid SCHEMBL8521226 0.98 MAPT (0.46) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL191996 0.87 ACHE (0.59) ACHECYP19A1NQO2MAPTCYP3A4
Ammonia Solution, Strong SCHEMBL4946565 0.85 ACHE (0.56) ACHECYP19A1NQO2MAPTCYP3A4
Hydrochloric Acid SCHEMBL4381078 0.85 ACHE (0.56) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL16608098 0.85 ALDH1A1 (0.38) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL21264353 0.81 MAPT (0.47) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL5651722 0.79 CYP1A2 (0.53) ACHECYP19A1MAPTCYP3A4CA9
SCHEMBL6977792 0.79 ACHE (0.50) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL9348470 0.78 ACHE (0.48) ACHECYP19A1NQO2MAPTCYP3A4
SCHEMBL6139697 0.78 FYN (0.35) ACHECYP19A1NQO2CYP3A4TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 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-0502784-B1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents OREAL (FR) 1995-06-21 EP claimed
US-5261926-A Oxidation color dyes for hair L'OREAL (FR) 1993-11-16 US claimed
EP-0502784-A1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents L'OREAL (FR) 1992-09-09 EP claimed
WO-2015086676-A1 METHOD FOR DYEING KERATINOUS SUBSTANCES STARTING FROM COLOURED OLIGOMERS AND/OR POLYMERS RESULTING FROM META-PHENYLENEDIAMINES, COMPOSITION AND DYEING AGENT L'OREAL (FR) 2015-06-18 WO disclosed
US-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-20 US disclosed
US-6077320-A DYEING HAIR WITHOUT AN OXIDIZER BY REACTION OF HAIR DYE WITH A PRIMARY OR SECONDARY AMINE-FUNCTIONAL COMPOUND IN THE DYE MEDIUM L'OREAL (FR) 2000-06-20 US disclosed
US-6024769-A HAIR COLORS AND HAIR DYEING; RESISTANCE TO LIGHT, WASHINGS, PERSPIRATION AND ADVERSE WEATHER L'OREAL (FR) 2000-02-15 US disclosed
EP-0847749-B1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them OREAL (FR) 1999-12-01 EP disclosed
EP-0663814-B1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR OREAL (FR) 1999-04-28 EP disclosed
EP-0847749-A1 Use of diiminoisoindoline or 3-aminoisoindolone derivatives for the dyeing of keratinic fibers and compositions containing them L'OREAL (FR) 1998-06-17 EP disclosed
EP-0663814-A1 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1995-07-26 EP disclosed
EP-0502784-B1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents OREAL (FR) 1995-06-21 EP disclosed
US-5261926-A Oxidation color dyes for hair L'OREAL (FR) 1993-11-16 US disclosed
WO-1993010744-A2 PROCESS FOR DYEING KERATIN FIBRES USING AN ACID PH ALCOXYMETEPHENYLENEDIAMINE AND COMPOSITIONS THEREFOR L'OREAL (FR) 1993-06-10 WO disclosed
EP-0502784-A1 Keratinous fibres dyeing process with isatin or derivatives thereof associated with a tri-, tetra- or pentasubstituted aniline or a bisphenylalkylenediamine and dyeing agents L'OREAL (FR) 1992-09-09 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-20110257361-A1 ALKYL BENZENE TETRACARBOXYLIC DIANHYDRIDE, MANUFACTURING METHOD THEREOF, POLYIMIDE, AND APPLICATION THEREOF PBRM1, PUF60, ALKBH1 ACHE 4818/4885CYP19A1 3286/4885NQO2 1570/4885

“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.