SCHEMBL14668233

SCHEMBL14668233

COC(=O)C(C)C1CCC(C)=CC1=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.36
▸ TRPA1 O75762 3/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ SLC6A3 Q01959 4/20 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
SCHEMBL11706153 0.85 ACE (0.40) —
SCHEMBL14668228 0.82 KDM4E (0.32) —
Piperitone SCHEMBL111913 0.76 TLR4 (0.40) —
(-)-Piperitone SCHEMBL1248697 0.76 TLR4 (0.40) —
(-)-Piperitone SCHEMBL3508682 0.76 TLR4 (0.40) —
SCHEMBL2728837 0.70 THRB (0.46) THRBSLC6A3
SCHEMBL14527952 0.70 TSHR (0.40) THRBTRPA1ALOX5SLC6A3
SCHEMBL11462127 0.70 ALDH1A1 (0.36) SLC6A3
SCHEMBL9518399 0.69 CYP2D6 (0.49) THRBSLC6A3
SCHEMBL11639674 0.68 CYP2D6 (0.48) THRBSLC6A3

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-111954665-B Novel lactone compounds and novel ether compounds 高砂香料工业株式会社 2023-08-15 — — CN disclosed
US-11427554-B2 Lactone compound and novel ether compound TAKASAGO INTERNATIONAL CORPORATION (JP) 2022-08-30 — — US disclosed
US-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 — — US disclosed
US-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-02-18 — — US disclosed
EP-3778581-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND Takasago International Corporation (JP) 2021-02-17 — — EP disclosed
CN-111954665-A Novel lactone compound and novel ether compound 高砂香料工业株式会社 2020-11-17 — — CN disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-09-19 — — US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 — — US disclosed
US-8481759-B2 Process for producing wine lactone TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-09 — — US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 — — US disclosed
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE TAKASAGO INTERNATIONAL CORPORATION 2013-01-31 — — 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-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND NR0B1, CBR1, DCXR THRB 1582/4885TRPA1 2504/4885ALOX5 1149/4885
US-20130245286-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA THRB 1449/4885TRPA1 3824/4885ALOX5 862/4885
US-11427554-B2 Lactone compound and novel ether compound NR0B1, CBR1, DCXR THRB 1381/4885TRPA1 2347/4885ALOX5 1331/4885
US-20130245287-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA THRB 1449/4885TRPA1 3824/4885ALOX5 862/4885
US-20130030193-A1 PROCESS FOR PRODUCING WINE LACTONE SUCLA2, ADH5, PCCA THRB 1449/4885TRPA1 3824/4885ALOX5 862/4885

“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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