SCHEMBL31292860

SCHEMBL31292860

C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]23OC2=C(C[C@]13C)C(=O)C(N)=CC2=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 2/20 0.47
▸ ENTPD5 O75356 1/20 0.47
▸ CDK2 P24941 1/20 0.39
▸ ALOX5 P09917 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ PTPN1 P18031 1/20 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
SCHEMBL8148354 0.62 CETP (0.51) CETPENTPD5
Strongylin A SCHEMBL31536139 0.61 CETP (1.00) CETPENTPD5ALOX15ALOX12
Strongylin A SCHEMBL8273902 0.61 CETP (1.00) CETPENTPD5ALOX15ALOX12
SCHEMBL16984748 0.55 CETP (0.39) CETPENTPD5PTPN1
SCHEMBL3146702 0.53 PIK3CA (0.42) CETPALOX5ALOX15ALOX12
SCHEMBL14813240 0.53 ALOX15 (0.68) ALOX5ALOX15ALOX12
SCHEMBL9839543 0.52 PAX8 (0.33) —
SCHEMBL3536691 0.52 CA1 (0.38) CETPENTPD5ALOX5ALOX15ALOX12
SCHEMBL9730930 0.50 MAPT (0.39) ALOX15PTPN1
SCHEMBL6438246 0.50 CYP19A1 (0.40) CETPALOX5ALOX15ALOX12PTPN1

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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 — — US claimed
US-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION THE SCRIPPS RESEARCH INSTITUTE 2025-04-17 — — US disclosed
WO-2024226703-A2 ASYMMETRIC SYNTHESIS AND DIVERSIFICATION OF A STABILIZED SALVINORIN A SCAFFOLD THE SCRIPPS RESEARCH INSTITUTE (US) 2024-10-31 — — 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-20250122146-A1 COMPOUNDS FOR REDUCING NEUROINFLAMMATION HSF1, HSPA2, KEAP1 CETP 4053/4885ENTPD5 4851/4885CDK2 1812/4885

“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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