SCHEMBL4392009

SCHEMBL4392009

C=C1CCCC(C)(C)C1=O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
CYP1A2 P05177 1/20 0.32
ACHE P22303 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
SCHEMBL21202257 0.85
SCHEMBL15655854 0.75 POLB (0.36) POLBCYP1A2ACHE
SCHEMBL9726278 0.75
SCHEMBL966903 0.73 ACHE (0.41) POLBACHE
SCHEMBL965199 0.73 ACHE (0.37) POLBACHE
SCHEMBL12121151 0.71 IDO1 (0.35) CYP1A2
SCHEMBL2458387 0.71 ACHE (0.40) POLBACHE
SCHEMBL7548140 0.71 ACHE (0.40) POLBACHE
SCHEMBL968768 0.71 ACHE (0.35) POLBACHE
SCHEMBL8594481 0.69 ACHE (0.39) POLBACHE

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
CN-101460064-A Carotenoid-containing dietary supplement CHEMAPHOR INC (CA) 2009-06-17 CN claimed
EP-2007221-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT Chemaphor Inc. (CA) 2008-12-31 EP claimed
WO-2007112587-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT CHEMAPHOR INC. (CA) 2007-10-11 WO claimed
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 EP disclosed
CN-109415293-B Dehydrogenation reaction 弗门尼舍有限公司 2022-08-02 CN disclosed
US-10899694-B2 Dehydrogenation reaction FIRMENICH SA (CH) 2021-01-26 US disclosed
US-20190345088-A1 DEHYDROGENATION REACTION FIRMENICH SA (CH) 2019-11-14 US disclosed
US-20090306222-A1 FOOD SUPPLEMENTS AND USES THEREOF CHEMAPHOR INC. (CA) 2009-12-10 US disclosed
CN-101460064-A Carotenoid-containing dietary supplement CHEMAPHOR INC (CA) 2009-06-17 CN disclosed
EP-2007221-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT Chemaphor Inc. (CA) 2008-12-31 EP disclosed
WO-2007112587-A1 CAROTENOID-CONTAINING DIETARY SUPPLEMENT CHEMAPHOR INC. (CA) 2007-10-11 WO disclosed
EP-0449034-B1 Cyclic ketones, method for their preparation and their application in perfumery FIRMENICH & CIE (CH) 1994-12-28 EP disclosed
US-5118865-A CYCLIC KETONES AND THEIR USE AS PERFUMING INGREDIENTS FIRMENICH SA (CH) 1992-06-02 US disclosed
EP-0449034-A1 Cyclic ketones, method for their preparation and their application in perfumery FIRMENICH SA (CH) 1991-10-02 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 (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-10899694-B2 Dehydrogenation reaction PDK3, PDK2, PDHA1 POLB 466/4885CYP1A2 53/4885ACHE 1798/4885
US-20190345088-A1 DEHYDROGENATION REACTION PDK3, PDK2, PDHA1 POLB 466/4885CYP1A2 53/4885ACHE 1798/4885

“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.