SCHEMBL27207751

SCHEMBL27207751

C=C(C)C1CC[C@]23O[C@@H]2C(=O)CC(C)[C@]3(C)C1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
CYP19A1 P11511 2/20 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
SCHEMBL26189394 1.00 CYP2C19 (0.40) CYP2C19CYP19A1
SCHEMBL13588477 1.00 CYP2C19 (0.40) CYP2C19CYP19A1
SCHEMBL26189395 0.85 CYP2C19 (0.35) CYP2C19
SCHEMBL21473304 0.83 CYP2C19 (0.36) CYP2C19
SCHEMBL13588474 0.77 CYP19A1 (0.36) CYP19A1
SCHEMBL21473201 0.75 CYP2C19 (0.32) CYP2C19
SCHEMBL21473200 0.75 CYP2C19 (0.32) CYP2C19
SCHEMBL22747925 0.75 CYP2C19 (0.33) CYP2C19
SCHEMBL29801495 0.75 CYP2C19 (0.33) CYP2C19
SCHEMBL22747923 0.75 CYP2C19 (0.33) CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970473-B2 Nootkatone derivatives and methods of using the same Arkansas State University—Jonesboro (US) 2024-04-30 US disclosed
US-20220324823-A1 NOOTKATONE DERIVATIVES AND METHODS OF USING THE SAME Arkansas State University - Jonesboro 2022-10-13 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 (2 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-11970473-B2 Nootkatone derivatives and methods of using the same SDHA, PCK2, GOT2 CYP2C19 1380/4885CYP19A1 521/4885
US-20220324823-A1 NOOTKATONE DERIVATIVES AND METHODS OF USING THE SAME SDHA, PCK2, GOT2 CYP2C19 1380/4885CYP19A1 521/4885

“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.