SCHEMBL5810840

SCHEMBL5810840

CCCC=CC1CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL6803655 1.00 CA1 (0.32) CA1CA2CA4KMT2A
SCHEMBL2421576 0.89 FAAH (0.34) CA1CA2CA4
SCHEMBL2421570 0.89 FAAH (0.34) CA1CA2CA4
SCHEMBL27771224 0.88 FAAH (0.40) KMT2A
Acetic Acid Methyl Ester SCHEMBL4937513 0.88 THRB (0.31)
SCHEMBL120122 0.86 ALDH1A1 (0.39)
SCHEMBL1771016 0.86 ALDH1A1 (0.39)
SCHEMBL119856 0.86 ALDH1A1 (0.39)
SCHEMBL20853080 0.86 ALDH1A1 (0.39)
SCHEMBL28779856 0.84 CA1 (0.37) CA1CA2CA4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-1894603-B1 Encapsulation of bulky fragrance molecules TAKASAGO PERFUMERY CO LTD (JP) 2014-11-19 EP claimed
CN-118076767-A Method and formulation for producing an optical metal oxide layer 默克专利有限公司 2024-05-24 CN disclosed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed
WO-2023057401-A1 METHOD AND FORMULATION FOR PREPARING OPTICAL METAL OXIDE LAYERS MERCK PATENT GMBH (DE) 2023-04-13 WO disclosed
CN-113979980-A Preparation method of high-purity butyrolactone 安徽华业香料合肥有限公司 2022-01-28 CN disclosed
WO-2006116872-A1 METHODS FOR HORMONE PROFILING NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2006-11-09 WO disclosed
US-6774126-B2 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-08-10 US disclosed
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors PHARMACIA CORPORATION 2004-01-29 US disclosed
US-6552052-B2 (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example MONSANTO/G.D. SEARLE 2003-04-22 US disclosed
US-6489323-B1 INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK G.D. SEARLE & CO. 2002-12-03 US disclosed
US-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors HANSEN DONALD W (US) 2001-11-22 US disclosed
EP-1086108-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. Searle & Co. (US) 2001-03-28 EP disclosed
WO-1999064426-A1 HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1999-12-16 WO disclosed
US-4331611-A Nitrile and uses of same in perfumes, colognes and perfumed articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-25 US disclosed
US-4294863-A Flavoring with mixture of nor-methyl jasmonate and dihydro-nor-methyl jasmonate INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-10-13 US disclosed
US-4260512-A DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-04-07 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-20010044539-A1 Heterobicyclic and tricyclic nitric oxide synthase inhibitors NOS1, NOS2, NOS3 CA1 1778/4885CA2 443/4885CA4 2323/4885
US-20040019019-A1 Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors NOS1, NOS2, NOS3 CA1 2180/4885CA2 871/4885CA4 2615/4885

“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.