SCHEMBL2780476

SCHEMBL2780476

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.52
ALDH1A1 P00352 9/20 0.46
TYR P14679 1/20 0.46
CYP2A13 Q16696 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
ALDH1A3 P47895 2/20 0.43
ALDH3A1 P30838 1/20 0.43
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.37
EGFR P00533 1/20 0.37

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
Bromide SCHEMBL1885936 0.97 CYP2A6 (0.50) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
Iodide SCHEMBL15412173 0.97 CYP2A6 (0.50) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL27942473 0.97 CYP2A6 (0.50) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
Iodide SCHEMBL15009902 0.97 CYP2A6 (0.50) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL6847822 0.87 CYP2A6 (0.41) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL4830852 0.82 ALDH1A1 (0.42) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
Trifluoromethanesulfonic Acid SCHEMBL117933 0.81 CYP2A6 (0.36) CYP2A6ALDH1A1TYRCYP2A13HSD17B10
SCHEMBL7051526 0.77 CYP2A6 (0.50) CYP2A6ALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL4627437 0.77 ALDH1A1 (0.54) ALDH1A1APOBEC3AAPOBEC3GKDM4E
SCHEMBL5712018 0.77 ALDH1A1 (0.47) CYP2A6ALDH1A1TYRCYP2A13HSD17B10

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 102 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-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-2003030842-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-2648767-B1 RADIOTRACER COMPOSITIONS GE HEALTHCARE LTD (GB) 2023-03-15 EP disclosed
US-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 US disclosed
EP-3083526-B1 PURIFICATION METHOD AND COMPOSITIONS GE HEALTHCARE LTD (GB) 2019-08-07 EP disclosed
EP-0995761-A2 Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders Dupont Pharmaceuticals Company (US) 2000-04-26 EP disclosed
US-6022523-A NOVEL CYCLIC COMPOUNDS CONTAINING CARBOCYCLIC AND HETEROCYCLIC RING SYSTEMS DUPONT PHARMACEUTICALS COMPANY (US) 2000-02-08 US disclosed
US-5879657-A Radiolabeled platelet GPIIb/IIIa receptor antagonists as imaging agents for the diagnosis of thromboembolic disorders THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1999-03-09 US disclosed
US-4124388-A FORMYL BENZYL QUATERNARY AMMONIUM SALT POLAROID CORPORATION (US) 1978-11-07 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-20210356473-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE ANPEP, MAX, DNPEP CYP2A6 4875/4885ALDH1A1 4880/4885TYR 3010/4885
US-20050262647-A1 Agent for dyeing fibers containing keratin KRT18, CKAP4, KRTCAP2 CYP2A6 877/4885ALDH1A1 240/4885TYR 97/4885

“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.