SCHEMBL6900417

SCHEMBL6900417

CCCCCC1CC=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 1/20 0.36
▸ CYP1A2 P05177 3/20 0.36
▸ CYP19A1 P11511 6/20 0.35
▸ PDCD4 Q53EL6 1/20 0.34
▸ PTGS1 P23219 3/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ FAAH O00519 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6902526 0.98 DNTT (0.39) DNTTCYP1A2CYP19A1PDCD4PTGS1
SCHEMBL6897244 0.98 DNTT (0.39) DNTTCYP1A2CYP19A1PDCD4PTGS1
SCHEMBL6901633 0.98 DNTT (0.39) DNTTCYP1A2CYP19A1PDCD4PTGS1
SCHEMBL6903979 0.98 DNTT (0.39) DNTTCYP1A2CYP19A1PDCD4PTGS1
SCHEMBL6903173 0.94 NFKB1 (0.37) DNTTCYP19A1PDCD4GRM2ALDH1A1
SCHEMBL17500024 0.83 ACHE (0.34) CYP1A2CYP19A1
SCHEMBL6902657 0.77 — —
SCHEMBL4864903 0.76 NFKB1 (0.38) CYP1A2CYP19A1PPARG
SCHEMBL11522060 0.74 DNTT (0.38) DNTTCYP1A2CYP19A1PTGS1PTGS2
SCHEMBL10938582 0.73 HTT (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2985338-B1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME ZEON CORP (JP) 2018-10-31 — — EP claimed
CN-105051172-B Spice composition and its manufacturing method 日本瑞翁株式会社 2018-08-14 — — CN claimed
US-9708569-B2 Fragrance composition and method for producing same ZEON CORPORATION (JP) 2017-07-18 — — US claimed
US-20160046888-A1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME ZEON CORPORATION (JP) 2016-02-18 — — US claimed
EP-2985338-A1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME Zeon Corporation (JP) 2016-02-17 — — EP claimed
EP-3475256-B1 DEHYDROGENATION REACTION FIRMENICH & CIE (CH) 2024-01-24 — — EP disclosed
US-11753360-B2 Circular economy methods of preparing unsaturated compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2023-09-12 — — US disclosed
US-11753360-B2 Circular economy methods of preparing unsaturated compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2023-09-12 — — US 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-10435345-B2 Circular economy methods of preparing unsaturated compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-10-08 — — US disclosed
EP-2985338-B1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME ZEON CORP (JP) 2018-10-31 — — EP disclosed
EP-3257831-A2 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS International Flavors & Fragrances Inc. (US) 2017-12-20 — — EP disclosed
US-9708569-B2 Fragrance composition and method for producing same ZEON CORPORATION (JP) 2017-07-18 — — US disclosed
US-20160046888-A1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME ZEON CORPORATION (JP) 2016-02-18 — — US disclosed
EP-2985338-A1 FRAGRANCE COMPOSITION AND METHOD FOR PRODUCING SAME Zeon Corporation (JP) 2016-02-17 — — EP disclosed
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 — — US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 — — US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 — — EP disclosed
US-4540825-A REARRANGEMENT OF 4-CYCLOPENTENONES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-09-10 — — 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 (5 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-10435345-B2 Circular economy methods of preparing unsaturated compounds FADS1, SCD, FASN DNTT 992/4885CYP1A2 410/4885CYP19A1 270/4885
US-10899694-B2 Dehydrogenation reaction PDK3, PDK2, PDHA1 DNTT 809/4885CYP1A2 53/4885CYP19A1 185/4885
US-20190345088-A1 DEHYDROGENATION REACTION PDK3, PDK2, PDHA1 DNTT 809/4885CYP1A2 53/4885CYP19A1 185/4885
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 DNTT 4441/4885CYP1A2 140/4885CYP19A1 442/4885
US-11753360-B2 Circular economy methods of preparing unsaturated compounds FADS1, SCD, FASN DNTT 992/4885CYP1A2 410/4885CYP19A1 270/4885

“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.

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