SCHEMBL19720143

SCHEMBL19720143

CCCCCC1C(=O)C=CC1CC(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNTT P04053 3/20 0.57
▸ PPARG P37231 6/20 0.47
▸ PPARA Q07869 4/20 0.47
▸ PPARD Q03181 3/20 0.47
▸ TRPA1 O75762 2/20 0.41
▸ NR4A2 P43354 2/20 0.41
▸ PTGER2 P43116 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ PTGER4 P35408 1/20 0.36
▸ PTGER3 P43115 1/20 0.36
▸ PRKCA P17252 2/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36

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
SCHEMBL11866493 0.82 DNTT (0.50) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866489 0.82 DNTT (0.50) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866497 0.78 TRPA1 (0.48) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11866505 0.78 TRPA1 (0.48) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL12643586 0.77 DNTT (0.51) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11419181 0.76 AKR1C4 (0.38) DNTTTRPA1PTGER2POLBPTGER4
SCHEMBL10022799 0.76 AKR1C4 (0.38) DNTTTRPA1PTGER2POLBPTGER4
SCHEMBL11419180 0.76 AKR1C4 (0.38) DNTTTRPA1PTGER2POLBPTGER4
SCHEMBL17451520 0.74 PPARG (0.67) DNTTPPARGPPARAPPARDTRPA1
SCHEMBL11800847 0.74 PPARG (0.67) DNTTPPARGPPARAPPARDTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10435345-B2 Circular economy methods of preparing unsaturated compounds INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2019-10-08 — — US disclosed
US-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-12-21 — — US disclosed
US-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS INTERNATIONAL FLAVORS AND FRAGRANCES INC. 2017-12-21 — — US disclosed
EP-3257831-A2 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS International Flavors & Fragrances Inc. (US) 2017-12-20 — — 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 (3 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-20170362155-A1 CIRCULAR ECONOMY METHODS OF PREPARING UNSATURATED COMPOUNDS FADS1, SCD, FASN DNTT 992/4885PPARG 80/4885PPARA 97/4885
US-10435345-B2 Circular economy methods of preparing unsaturated compounds FADS1, SCD, FASN DNTT 992/4885PPARG 80/4885PPARA 97/4885
US-11753360-B2 Circular economy methods of preparing unsaturated compounds FADS1, SCD, FASN DNTT 992/4885PPARG 80/4885PPARA 97/4885

“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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