SCHEMBL2022935

SCHEMBL2022935

CC(O)Oc1cc([N+](=O)[O-])ccc1NCCO

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
KMT2A Q03164 7/20 0.59
CYP19A1 P11511 3/20 0.53
ALDH1A1 P00352 9/20 0.53
MEN1 O00255 5/20 0.50
MAPT P10636 4/20 0.50
THRB P10828 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.48
PKM P14618 2/20 0.48
RECQL P46063 1/20 0.44

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
SCHEMBL1678314 0.90 TSHR (0.56) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL29390085 0.84 TSHR (0.73) TSHRTDP1KMT2AALDH1A1MAPT
SCHEMBL111537 0.84 TSHR (0.73) TSHRTDP1KMT2AALDH1A1MAPT
SCHEMBL14940857 0.82 TDP1 (0.78) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL124120 0.81 CYP19A1 (0.54) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL109798 0.80 TSHR (1.00) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL29392721 0.80 TSHR (1.00) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL5175179 0.79 TSHR (0.87) TSHRTDP1KMT2ACYP19A1ALDH1A1
SCHEMBL29390514 0.77 KMT2A (0.70) TSHRTDP1KMT2AALDH1A1MEN1
SCHEMBL126989 0.77 KMT2A (0.70) TSHRTDP1KMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4362893-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2024-05-08 EP disclosed
WO-2023275205-A1 COSMETIC COMPOSITION COMPRISING AT LEAST ONE ALKYL (POLY)GLYCOSIDE, N,N-DICARBOXYMETHYLGLUTAMIC ACID, PROPANE-1,3-DIOL, AT LEAST ONE FATTY SUBSTANCE OTHER THAN FATTY ACIDS, AT LEAST ONE DYE L'OREAL (FR) 2023-01-05 WO disclosed
WO-2023275210-A1 COMPOSITION COMPRISING 1,3-PROPANEDIOL AND AT LEAST ONE FATTY SUBSTANCE, ONE OR MORE OXIDATION DYES L'OREAL (FR) 2023-01-05 WO disclosed
EP-3883539-A1 AZOMETHINE DYE CHROMOPHORES BASF SE (DE) 2021-09-29 EP disclosed
WO-2021130088-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT L'OREAL (FR) 2021-07-01 WO disclosed
EP-3544576-A1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE L'Oréal (FR) 2019-10-02 EP disclosed
WO-2018096132-A1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE L'OREAL (FR) 2018-05-31 WO disclosed
US-9565916-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
EP-2903585-A2 AGENT FOR ALTERING THE COLOR OF KERATIN FIBERS COMPRISING A FATTY SUBSTANCE, A RHEOLOGY MODIFYING POLYMER, AND DIRECT DYES IN AN EMULSION SYSTEM L'OREAL (FR) 2015-08-12 EP disclosed
US-20140311517-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-10-23 US disclosed
EP-2694009-A2 A HAIR TREATMENT METHOD L'Oréal (FR) 2014-02-12 EP disclosed
US-20130263389-A1 HAIR DYEING PROCESS USING AN INSOLUBLE SILICATE, AN AROMATIC COMPOUND AND A HYDROXYLATED ALIPHATIC SOLVENT L'OREAL (FR) 2013-10-10 US disclosed
WO-2013071194-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071196-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071182-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071191-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071192-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
EP-2515842-A2 DYEING AND/OR BLEACHING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE L'Oréal (FR) 2012-10-31 EP disclosed
WO-2012137165-A2 A HAIR TREATMENT METHOD L'OREAL (FR) 2012-10-11 WO disclosed
WO-2011076603-A2 DYEING AND/OR BLEACHING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE L'OREAL (FR) 2011-06-30 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 (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-20130263389-A1 HAIR DYEING PROCESS USING AN INSOLUBLE SILICATE, AN AROMATIC COMPOUND AND A HYDROXYLATED ALIPHATIC SOLVENT H1-4, ITCH, C9 TSHR 4222/4885TDP1 2297/4885KMT2A 3150/4885

“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.