SCHEMBL4061071

SCHEMBL4061071

COc1ccc(NCCO)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.76
MAPT P10636 6/20 0.76
ALDH1A1 P00352 6/20 0.59
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 2/20 0.56
THRB P10828 2/20 0.56
MAPK1 P28482 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
APAF1 O14727 1/20 0.56
TDP2 O95551 1/20 0.56
CASP6 P55212 1/20 0.56
LMNA P02545 1/20 0.54
APP P05067 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
RECQL P46063 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GBA1 P04062 1/20 0.49

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
Ammonia Solution, Strong SCHEMBL2858469 0.98 GAA (0.73) GAAMAPTALDH1A1L3MBTL1KDM4E
Sulfuric Acid SCHEMBL28117445 0.91 GAA (0.63) GAAMAPTALDH1A1L3MBTL1KDM4E
Acetic Acid SCHEMBL10672568 0.91 MAPT (0.63) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL11112945 0.88 GAA (0.70) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL1030950 0.87 GAA (1.00) GAAMAPTALDH1A1L3MBTL1KDM4E
Anisole SCHEMBL8779841 0.86 GAA (0.57) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL15209705 0.85 RAB9A (0.57) GAAMAPTALDH1A1L3MBTL1MEN1
SCHEMBL5605088 0.85 GAA (0.66) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL7128297 0.83 GAA (0.50) GAAMAPTALDH1A1L3MBTL1KDM4E
SCHEMBL11502052 0.83 GAA (0.68) GAAMAPTALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030554-B1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2018-02-28 EP claimed
US-9770446-B2 Piperidine urea derivatives MERCK PATENT GMBH (DE) 2017-09-26 US claimed
US-20160184285-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2016-06-30 US claimed
EP-3030554-A1 PIPERIDINE UREA DERIVATIVES Merck Patent GmbH (DE) 2016-06-15 EP claimed
WO-2015018475-A1 PIPERIDINE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2015-02-12 WO claimed
EP-1655017-B1 Use of compounds of the type organosilane for dyeing keratinic fibres OREAL (FR) 2009-12-30 EP claimed
EP-1066282-A1 NOVEL CATIONIC DI-METHYLENEDIOXY-BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2001-01-10 EP claimed
WO-2000043389-A1 NOVEL CATIONIC DI-METHYLENEDIOXY-BENZENES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES L'OREAL (FR) 2000-07-27 WO claimed
WO-2025069043-A1 SUSTAINABLE COMPOSITIONS AND METHODS FOR DYEING AND/OR LIGHTENING KERATIN FIBRES L'OREAL (FR) 2025-04-03 WO disclosed
EP-4362892-A1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT L'OREAL (FR) 2024-05-08 EP disclosed
CN-115073311-B Efficient preparation of N, N ′ Synthesis method of-di (2-hydroxyethyl) aniline 河南大学 2023-05-23 CN disclosed
EP-4171482-A1 PRETREATMENT COMPOSITION OF A PROCESS FOR DYEING OR BLEACHING KERATIN FIBERS L'OREAL (FR) 2023-05-03 EP disclosed
EP-4171490-A1 PROCESS FOR TREATING KERATIN FIBERS USING PARTICULAR AMINO ACIDS IN HIGH CONCENTRATION L'OREAL (FR) 2023-05-03 EP disclosed
WO-2023275204-A1 COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, AT LEAST ONE FATTY ALCOHOL, AT LEAST ONE FATTY ACID, AND AT LEAST ONE ALKALINE AGENT L'OREAL (FR) 2023-01-05 WO disclosed
EP-0752451-A1 The use of novel and known 4,5-dihydro-1H-1,2,3-triazolium cationic compounds as dyestuffs and novel 4,5-dihydro-1H-1,2,3-triazolium cationic compounds BAYER AG (DE) 1997-01-08 EP disclosed
US-4916236-A CONTACTING VAPOR PHASE MIXTURE OF N-(B-HYDROXY) ALKYLANILINE, WATER AND ACATALYST, COOLING AND CONDENSING MITSUI TOATSU CHEMICALS, INC. (JP) 1990-04-10 US disclosed
US-4788277-A OXIDATIVE COUPLING, CATALYST CONTAINING COPPER, DIAMINE, HALOGEN ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-11-29 US disclosed
EP-0233139-A2 Reactive dyes, their preparation and their use CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0177326-A2 2-Arylmethyl-5-aryl-oxazolidines, their preparation and use SMITHKLINE BEECHAM CORPORATION (US) 1986-04-09 EP disclosed
US-4070357-A Process for the preparation of indoline derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DT) 1978-01-24 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 (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-20160184285-A1 PIPERIDINE UREA DERIVATIVES PRMT1, TNKS, PRMT3 GAA 3002/4885MAPT 3205/4885ALDH1A1 1022/4885

“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.