SCHEMBL2966100

SCHEMBL2966100

CCCCCCCC1CCCOC1=O

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
EPHX1 P07099 1/20 0.43

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
SCHEMBL8999804 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2976999 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2964958 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL368248 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2971445 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2979522 1.00 CYP1A2 (0.47) CYP1A2EPHX1
SCHEMBL2945488 0.98 CYP1A2 (0.49) CYP1A2EPHX1
SCHEMBL25200172 0.95 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL486920 0.95 CYP1A2 (0.46) CYP1A2EPHX1
SCHEMBL28396829 0.95 CYP1A2 (0.46) CYP1A2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773284-B1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THEIR USE IN PERFUMERY MANE FILS V (FR) 2010-09-15 EP claimed
EP-1773284-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. Mane Fils (FR) 2007-04-18 EP claimed
WO-2006021663-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. MANE FILS (FR) 2006-03-02 WO claimed
US-12018226-B2 Perfuming compositions FIRMENICH SA (CH) 2024-06-25 US disclosed
US-20200325415-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2020-10-15 US disclosed
US-20190264133-A1 PERFUMING COMPOSITIONS FIRMENICH SA (CH) 2019-08-29 US disclosed
CN-109689848-A Spice composition 奇华顿股份有限公司 2019-04-26 CN disclosed
US-8853426-B2 Method for manufacturing ester NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-10-07 US disclosed
US-20130217898-A1 METHOD FOR MANUFACTURING ESTER NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-08-22 US disclosed
EP-1773284-B1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THEIR USE IN PERFUMERY MANE FILS V (FR) 2010-09-15 EP disclosed
EP-1773284-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. Mane Fils (FR) 2007-04-18 EP disclosed
WO-2006021663-A1 BETA-SUBSTITUTED TETRAHYDROPYRAN(ON)S AND METHOD FOR THE SYNTHESIS AND THE USE THEREOF V. MANE FILS (FR) 2006-03-02 WO disclosed
EP-0341773-B1 Process for the preparation of lactones SHELL INT RESEARCH (NL) 1996-09-11 EP disclosed
EP-0341773-A1 Process for the preparation of lactones SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-11-15 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-20130217898-A1 METHOD FOR MANUFACTURING ESTER CBR3, BCKDK, ACSL4 CYP1A2 585/4885EPHX1 1762/4885

“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.