SCHEMBL2272936

SCHEMBL2272936

COc1cccc(NC(=O)c2ccc(O)cc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
TP53 P04637 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
RXFP1 Q9HBX9 1/20 0.61
KLKB1 P03952 1/20 0.61
POLB P06746 1/20 0.60
KMT2A Q03164 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NLRP3 Q96P20 1/20 0.59
PKM P14618 1/20 0.59
KDM4E B2RXH2 1/20 0.59
GAA P10253 1/20 0.59
MMP1 P03956 2/20 0.57
MMP2 P08253 2/20 0.57
MMP9 P14780 2/20 0.57
FADS1 O60427 1/20 0.57
SRC P12931 1/20 0.56
HPGD P15428 1/20 0.55

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
Water SCHEMBL9806558 0.92 KLKB1 (0.56) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL2266172 0.87 P2RX1 (0.62) RAB9ANPC1TP53SMN1; SMN2KLKB1
SCHEMBL2272830 0.84 KLKB1 (0.69) RAB9ANPC1TP53SMN1; SMN2KLKB1
SCHEMBL27833865 0.84 FADS1 (0.81) RAB9ANPC1TP53SMN1; SMN2KLKB1
SCHEMBL27851999 0.84 P2RX1 (0.64) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL3045065 0.83 POLB (0.76) RAB9ANPC1TP53SMN1; SMN2RXFP1
SCHEMBL8435986 0.81 MEN1 (0.60) RAB9ANPC1TP53RXFP1KMT2A
SCHEMBL9806535 0.81 P2RX1 (0.55) RAB9ANPC1TP53SMN1; SMN2KLKB1
SCHEMBL10132121 0.81 NR1H4 (0.60) RAB9ANPC1RXFP1KMT2AGAA
SCHEMBL13812749 0.80 MET (0.60) RAB9ANPC1KLKB1POLBKMT2A

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 RAB9A 3629/4885NPC1 3579/4885TP53 2003/4885
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 RAB9A 3265/4885NPC1 3930/4885TP53 1601/4885
US-20040231067-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and heterocyclic coupler, methods and uses KRT18, CDC73, PYCR1 RAB9A 4259/4885NPC1 4483/4885TP53 1659/4885

“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.