SCHEMBL23007987

SCHEMBL23007987

CCCCC1(C)CC[C@H]2C(C)CC(=O)O[C@@H]2C1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRKCA P17252 3/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ HSD17B3 P37058 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL21475343 1.00 PRKCA (0.31) PRKCACYP1A2HSD17B3SMN1; SMN2
SCHEMBL21475287 1.00 PRKCA (0.31) PRKCACYP1A2HSD17B3SMN1; SMN2
SCHEMBL21479501 0.96 CYP1A2 (0.33) CYP1A2HSD17B3
SCHEMBL21479529 0.95 CYP1A2 (0.35) PRKCACYP1A2HSD17B3
SCHEMBL21479527 0.95 CYP1A2 (0.35) PRKCACYP1A2HSD17B3
SCHEMBL21479549 0.95 CYP1A2 (0.35) PRKCACYP1A2HSD17B3
SCHEMBL21475318 0.93 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL21475295 0.87 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL21475409 0.86 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL23007849 0.82 ICAM1 (0.38) PRKCACYP1A2HSD17B3

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 1 patent. 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

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 PRKCA 3689/4885CYP1A2 155/4885HSD17B3 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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