SCHEMBL4853097

SCHEMBL4853097

Cc1cc(NCCOCCO)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
RECQL P46063 1/20 0.44
HIF1A Q16665 1/20 0.44
KCNH3 Q9ULD8 3/20 0.44
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
S100B P04271 1/20 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
Hydrochloric Acid SCHEMBL4862309 0.98 KCNH3 (0.46) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL10495591 0.86 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL11651821 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL10875746 0.85 ALDH1A1 (0.41) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL8681665 0.84 ALDH1A1 (0.42) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL6342530 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL11669127 0.84 SKP2 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL16477219 0.82 KCNH3 (0.44) ALDH1A1CYP3A4KCNH3KDM4EHPGD
SCHEMBL6334634 0.81 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL4858416 0.81 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1THRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
WO-2023247664-A2 LIPASE VARIANTS AND COMPOSITIONS COMPRISING SUCH LIPASE VARIANTS NOVOZYMES A/S (DK) 2023-12-28 WO disclosed
EP-4134424-A1 LIQUID DETERGENT COMPOSITION CONTAINING DYE POLYMER Unilever IP Holdings B.V. (NL) 2023-02-15 EP disclosed
EP-3881900-B1 ACTIVE AGENT-CONTAINING ARTICLES THAT EXHIBIT CONSUMER ACCEPTABLE ARTICLE IN-USE PROPERTIES PROCTER & GAMBLE (US) 2023-01-25 EP disclosed
EP-3573825-B1 ACTIVE AGENT-CONTAINING ARTICLES THAT EXHIBIT CONSUMER ACCEPTABLE ARTICLE IN-USE PROPERTIES PROCTER & GAMBLE (US) 2022-08-17 EP disclosed
EP-3083924-B1 COMPOSITIONS AND PROCESSES FOR TREATMENT WITH LIPASES NOVOZYMES AS (DK) 2022-08-03 EP disclosed
EP-3573721-B1 ACTIVE AGENT-CONTAINING ARTICLES THAT EXHIBIT CONSUMER ACCEPTABLE ARTICLE IN-USE PROPERTIES PROCTER & GAMBLE (US) 2021-08-11 EP disclosed
EP-3149160-B1 METHODS FOR PRODUCING LIPASES NOVOZYMES AS (DK) 2021-02-17 EP disclosed
EP-3760713-A2 LIPASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME Novozymes A/S (DK) 2021-01-06 EP disclosed
EP-3047010-B1 LAUNDRY CARE COMPOSITIONS CONTAINING THIOPHENE AZO CARBOXYLATE DYES PROCTER & GAMBLE (US) 2018-05-09 EP disclosed
EP-3047007-B1 LAUNDRY CARE COMPOSITION COMPRISING CARBOXYLATE DYE PROCTER & GAMBLE (US) 2018-04-11 EP disclosed
EP-2714985-B1 LIQUID DETERGENT COMPOSITION CONTAINING DYE POLYMER UNILEVER PLC (GB) 2018-02-28 EP disclosed
EP-2834353-B1 LIPASE VARIANTS AND POLYNUCLEOTIDES ENCODING SAME NOVOZYMES AS (DK) 2017-07-19 EP disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 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-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR ALDH1A1 968/4885CYP3A4 854/4885TDP1 1822/4885

“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.