SCHEMBL2272830

SCHEMBL2272830

COc1ccc(NC(=O)c2ccc(O)cc2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 2/20 0.69
NPC1 O15118 7/20 0.68
MEN1 O00255 6/20 0.68
KMT2A Q03164 6/20 0.68
RAB9A P51151 4/20 0.68
CASP3 P42574 1/20 0.68
SENP7 Q9BQF6 1/20 0.68
SENP6 Q9GZR1 1/20 0.68
PNLIP P16233 2/20 0.63
CYP3A4 P08684 3/20 0.57
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ATM Q13315 1/20 0.57
ALOX15 P16050 2/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
HSP90AA1 P07900 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56

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
SCHEMBL2266172 0.88 P2RX1 (0.62) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL11594657 0.87 NPC1 (0.66) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL2270561 0.85 LMNA (0.68) KLKB1MEN1KMT2AALDH1A1HPGD
SCHEMBL8439279 0.85 PNLIP (0.65) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL5383984 0.85 KLKB1 (0.66) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL2272936 0.84 RAB9A (0.61) KLKB1NPC1KMT2ARAB9AALDH1A1
SCHEMBL8438515 0.84 KLKB1 (0.73) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL8438123 0.83 NPC1 (0.66) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL15920977 0.82 BRAF (0.60) KLKB1NPC1MEN1KMT2ARAB9A
SCHEMBL9806535 0.82 P2RX1 (0.55) KLKB1NPC1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US claimed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP claimed
EP-2182914-B1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'ORÉAL (FR) 2017-11-08 EP disclosed
EP-2175830-B1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES ORÉAL L (FR) 2015-09-30 EP disclosed
US-8043385-B2 Composition oxidation colouring of keratinic fibres, containing a cationic cellulose ether, a metasilicate and oxidation dyes, method for oxidation colouring and uses thereof L'OREAL S.A. (FR) 2011-10-25 US disclosed
US-8002847-B2 Composition for oxidation dyeing keratin fibres comprising a cationic cellulose ether, a weakly oxyethylenated sorbitan fatty acid ester and oxidation dyes L 'OREAL S.A. (FR) 2011-08-23 US disclosed
US-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES L'OREAL S.A. (FR) 2010-11-04 US disclosed
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF L'OREAL S.A. (FR) 2010-10-21 US disclosed
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses L'OREAL (FR) 2004-11-25 US disclosed
EP-1428510-A1 Dyeing composition comprising a tertiary paraphenylenediamine containing a pyrrolidine, and a heterocyclic coupler or a hydroxybenzamide ; method and use L'OREAL (FR) 2004-06-16 EP disclosed
EP-0756943-B1 Heat sensitive recording material NEW OJI PAPER CO LTD (JP) 1999-12-22 EP disclosed
US-5753588-A COMPRISING INDOLYLDIAZAPHTHALIDE BASIC DYE, DIPHENYL SULFONE OR BENZANILIDE DERIVATIVE COLOR ACCEPTOR NEW OJI PAPER COMPANY LIMITED (JP) 1998-05-19 US disclosed
EP-0756943-A1 Heat sensitive recording material NEW OJI PAPER CO., LTD. (JP) 1997-02-05 EP disclosed
EP-0423163-A1 OXIDATIVE HAIR DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1991-04-24 EP disclosed
EP-0353452-A1 Oxidation hairdyeing composition Henkel Kommanditgesellschaft auf Aktien (DE) 1990-02-07 EP disclosed
WO-1990000047-A1 OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1990-01-11 WO 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 (3 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-20100275388-A1 COMPOSITION FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC CELLULOSE ETHER, A WEAKLY OXYETHYLENATED SORBITAN FATTY ACID ESTER AND OXIDATION DYES KRT18, KRTCAP2, FASN KLKB1 347/4885NPC1 3579/4885MEN1 4849/4885
US-20100263138-A1 COMPOSITION OXIDATION COLOURING OF KERATINIC FIBRES, CONTAINING A CATIONIC CELLULOSE ETHER, A METASILICATE AND OXIDATION DYES, METHOD FOR OXIDATION COLOURING AND USES THEREOF KRT18, TUBB3, VIM KLKB1 861/4885NPC1 3930/4885MEN1 1247/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 KLKB1 906/4885NPC1 4483/4885MEN1 1172/4885

“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.