SCHEMBL3276691

SCHEMBL3276691

CC(C)(C)C#C/C=C/C=O

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL3276692 1.00 TRPA1 (0.30) TRPA1MAPK1
SCHEMBL3101806 0.71
SCHEMBL28573514 0.69
SCHEMBL9860573 0.69
SCHEMBL15912583 0.69
SCHEMBL9860569 0.69
SCHEMBL17363190 0.69
SCHEMBL3141430 0.67
SCHEMBL13040926 0.67
SCHEMBL3141436 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1856026-A1 PURIFICATION PROCESS Novartis AG (US) 2007-11-21 EP claimed
WO-2006089746-A1 PURIFICATION PROCESS NOVARTIS AG (CH) 2006-08-31 WO claimed
CN-114380696-B Preparation method of terbinafine hydrochloride 山东诚汇双达药业有限公司 2022-11-25 CN disclosed
CN-114380696-A Preparation method of terbinafine hydrochloride 山东诚汇双达药业有限公司 2022-04-22 CN disclosed
US-20100087545-A1 PURIFICATION PROCESS BEUTLER ULRICH 2010-04-08 US disclosed
US-20100087545-A1 PURIFICATION PROCESS BEUTLER ULRICH 2010-04-08 US disclosed
EP-2121572-A2 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES Auspex Pharmaceuticals Inc. (US) 2009-11-25 EP disclosed
US-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
WO-2008073863-A2 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
EP-1236709-B1 A process for the preparation of terbinafine DIPHARMA FRANCIS SRL (IT) 2007-12-05 EP disclosed
EP-1856026-A1 PURIFICATION PROCESS Novartis AG (US) 2007-11-21 EP disclosed
US-20050197512-A1 Purification process BEUTLER ULRICH (CH) 2005-09-08 US disclosed
US-6515181-B2 Reacting tert-butylacetylene with (3-chloro-2-propenyl)-n-methyl-1-naphthalene methanamine in the presence of copper (I) salts and of a base, in the absence of palladium DIPHARMA S.P.A. (IT) 2003-02-04 US disclosed
US-20020123651-A1 Process for the preparation of terbinafine DIPHARMA S.P.A. (IT) 2002-09-05 US disclosed
EP-1236709-A2 A process for the preparation of terbinafine Dinamite Dipharma S.p.A. (in abbreviated form Dipharma S.p.A.) (IT) 2002-09-04 EP disclosed
US-5817875-A Methods for the manufacture of terbinafine KARIMIAN KHASHAYAR (CA) 1998-10-06 US disclosed
US-5439932-A Anticholesterol agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-08-08 US disclosed
US-5306728-A Substituted amine derivatives having antihyperlipemia activity BANYU PHARMACEUTICAL CO., LTD. (JP) 1994-04-26 US disclosed
US-4751245-A Antifungal derivatives of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine and method of using same E. R. SQUIBB & SONS, INC. (US) 1988-06-14 US disclosed
EP-0251574-A2 Antifungal derivatives of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine and method of using same E.R. Squibb & Sons, Inc. (US) 1988-01-07 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 (4 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-20100087545-A1 PURIFICATION PROCESS SLC6A12, SLC28A1, SLC6A6 TRPA1 265/4885MAPK1 135/4885
US-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES UGT1A7, UGT2B7, UGT1A10 TRPA1 1653/4885MAPK1 3151/4885
US-20020123651-A1 Process for the preparation of terbinafine CYP2F1, TBCB, TERT TRPA1 4437/4885MAPK1 725/4885
US-20050197512-A1 Purification process SLC6A12, SLC28A1, SLC6A6 TRPA1 265/4885MAPK1 135/4885

“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.