SCHEMBL2268005

SCHEMBL2268005

CCCCCCCCCCCCCCCC(C1CCN(c2ccc(N)cc2)C1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.43
DPP4 P27487 9/20 0.39
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 2/20 0.38
GFER P55789 2/20 0.38
RAD52 P43351 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.35
ADRA2C P18825 1/20 0.35
KMT2A Q03164 1/20 0.35
PTK2B Q14289 1/20 0.35
ESR2 Q92731 1/20 0.35
ACACB O00763 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL2265920 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2269580 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2272227 1.00 GRM2 (0.43) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540979 0.99 GRM2 (0.42) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540459 0.99 GRM2 (0.42) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2540175 0.99 GRM2 (0.42) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2542758 0.99 GRM2 (0.42) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2266686 0.99 GRM2 (0.41) GRM2DPP4KDM4EGAAMAPT
Iodide SCHEMBL2537386 0.97 GRM2 (0.40) GRM2DPP4KDM4EGAAMAPT
SCHEMBL2267720 0.95 DPP4 (0.40) GRM2DPP4KDM4EGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US 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
US-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses L'OREAL (FR) 2004-11-11 US 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 (2 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-20040221400-A1 Dyeing composition comprising a cationic tertiary para-phenylenediamine and a monosaccharide or disaccharide, processes and uses KRT18, DPM1, DSG1 GRM2 4098/4885DPP4 344/4885KDM4E 3092/4885
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 GRM2 4788/4885DPP4 4830/4885KDM4E 318/4885

“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.