SCHEMBL4625627

SCHEMBL4625627

CC(=O)c1ccc([N+](C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
HPGD P15428 4/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HSD17B1 P14061 1/20 0.48
MAPK1 P28482 2/20 0.45
NOS3 P29474 2/20 0.45
NOS1 P29475 2/20 0.45
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 1/20 0.43
STAT3 P40763 1/20 0.43
STAT1 P42224 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
ACHE P22303 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
STS P08842 1/20 0.41

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
SCHEMBL4827823 0.89 MAPK1 (0.57) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL50646 0.81 MAPT (0.68) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL701728 0.80 TSHR (0.60) HPGDSMN1; SMN2ALDH1A1
Iodide SCHEMBL21857931 0.78 TSHR (0.57) HPGDSMN1; SMN2ALDH1A1
SCHEMBL22264917 0.78 ACHE (0.41) LMNAKMT2AALDH1A1GAAACHE
SCHEMBL3892387 0.78 PARP10 (0.50) MAPTL3MBTL1KMT2ANOS1ALDH1A1
SCHEMBL17212250 0.78 HPGD (0.48) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL17212277 0.78 HPGD (0.48) MAPTHPGDRAB9ALMNAL3MBTL1
SCHEMBL27510440 0.76 MAPT (0.61) MAPTHPGDRAB9ALMNAL3MBTL1
Hydrochloric Acid SCHEMBL28471154 0.76 ALDH1A1 (0.42) LMNASMN1; SMN2ALDH1A1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
US-20050262647-A1 Agent for dyeing fibers containing keratin HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2005-12-01 US claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1139990-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2004-05-06 EP claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
US-9550704-B2 Method for synthesizing radiopharmaceuticals using a cartridge FUTURECHEM CO., LTD. (KR) 2017-01-24 US disclosed
US-9180215-B2 Positron emission tomography imaging method PURDUE RESEARCH FOUNDATION (US) 2015-11-10 US disclosed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO disclosed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP disclosed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 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-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 MAPT 646/4885HPGD 446/4885RAB9A 4293/4885

“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.