SCHEMBL21479527

SCHEMBL21479527

CCCCCCCC1(C)CCC2C(C)CC(=O)OC2C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.35
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ HSD17B3 P37058 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PRKCA P17252 2/20 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
SCHEMBL21479549 1.00 CYP1A2 (0.35) CYP1A2SIRT2HSD17B3PPARGPRKCA
SCHEMBL21479529 1.00 CYP1A2 (0.35) CYP1A2SIRT2HSD17B3PPARGPRKCA
SCHEMBL21479501 0.99 CYP1A2 (0.33) CYP1A2SIRT2HSD17B3PPARG
SCHEMBL21475287 0.95 PRKCA (0.31) CYP1A2HSD17B3PRKCA
SCHEMBL21475343 0.95 PRKCA (0.31) CYP1A2HSD17B3PRKCA
SCHEMBL23007987 0.95 PRKCA (0.31) CYP1A2HSD17B3PRKCA
SCHEMBL21475318 0.91 SMN1; SMN2 (0.31) —
SCHEMBL21475295 0.85 SMN1; SMN2 (0.32) —
SCHEMBL21475409 0.84 SMN1; SMN2 (0.30) —
SCHEMBL23008044 0.83 ICAM1 (0.36) CYP1A2SIRT2HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2019198678-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND 高砂香料工業株式会社 2019-10-17 — — WO 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-20210047283-A1 NOVEL LACTONE COMPOUND AND NOVEL ETHER COMPOUND NR0B1, CBR1, DCXR CYP1A2 155/4885SIRT2 780/4885HSD17B3 336/4885

“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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