SCHEMBL4456705

SCHEMBL4456705

Cc1ccc(CCO)c([N+](=O)[O-])c1N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 7/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
CYP3A4 P08684 4/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 2/20 0.34
LMNA P02545 2/20 0.33
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL8723930 0.87 ALDH1A1 (0.41) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL354095 0.86 TSHR (0.43) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL22833863 0.84 TSHR (0.42) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL5710258 0.83 TSHR (0.44) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL872694 0.82 TSHR (0.40) ALDH1A1TSHRPOLBHTT
SCHEMBL29377050 0.82 TSHR (0.40) ALDH1A1TSHRPOLBHTT
SCHEMBL1437068 0.81 TSHR (0.39) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL27881224 0.81 TSHR (0.39) ALDH1A1TSHRPOLBHTTCYP3A4
SCHEMBL1152190 0.80 TDP1 (0.48) ALDH1A1TDP1TSHRPOLBHTT
SCHEMBL1436657 0.78 ALDH1A1 (0.39) ALDH1A1TDP1TSHRPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708634-B1 DYES CONTAINING TETRAAMINOPYRIMIDINE AND DIRECT-DYEING AGENTS HENKEL KGAA (DE) 1997-09-03 EP claimed
EP-2705094-B1 DISULFIDE DYES BASF SE (DE) 2021-12-15 EP disclosed
CN-105492544-A Styryl sulfide dyes BASF SE 2016-04-13 CN disclosed
CN-102471596-B Polymeric hair dyes BASF SE (DE) 2015-09-09 CN disclosed
US-8992633-B2 Disulfide dyes BASF SE (DE) 2015-03-31 US disclosed
CN-102245714-B Polymeric hair dyes BASF SE 2014-09-24 CN disclosed
EP-2705094-A1 DISULFIDE DYES BASF SE (DE) 2014-03-12 EP disclosed
CN-101326244-B Triarylmethane dyes CIBA SPEC CHEM CORP 2013-07-24 CN disclosed
CN-101300309-B Dyes containing a thiol group CIBA SPEC CHEM CORP 2013-01-16 CN disclosed
CN-102018636-B Usage of drying oil for wash-protecting the color of artificially dyed keratin fibers OREAL 2012-12-26 CN disclosed
CN-1411493-A Method of colouring hair using cationic dyes COBA SPECIALTY CHEMICALS HOLDI (CH) 2003-04-16 CN disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed
EP-1300135-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed
WO-2003020229-A2 CREAM BASE FOR PRODUCING HAIR COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-03-13 WO disclosed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
US-20010004779-A1 Novel p-aminophenol derivatives and the use thereof ROSE DAVID (DE) 2001-06-28 US disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
CN-1282317-A Novel P-aminophenol derivatives and use thereof HENKEL KGAA (DE) 2001-01-31 CN disclosed
EP-0820759-A2 Compositions for dyeing keratinous fibers Henkel Kommanditgesellschaft auf Aktien (DE) 1998-01-28 EP disclosed
EP-0820760-A2 Use of aldehydes for dyeing keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 1998-01-28 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-20010004779-A1 Novel p-aminophenol derivatives and the use thereof KRT18, S100P, CKAP4 ALDH1A1 1269/4885TDP1 2468/4885TSHR 4840/4885

“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.