SCHEMBL25812784

SCHEMBL25812784

C[C@H]1C(=O)C[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP17A1 P05093 1/20 0.32
▸ CYP19A1 P11511 1/20 0.32

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
SCHEMBL24245771 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL8912423 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL3503734 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL18138232 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL24245773 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL8912413 1.00 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL14081522 0.71 ALOX15 (0.47) ALOX15ALDH1A1LMNATHRBMAPK1
SCHEMBL15291459 0.71 TSHR (0.37) TSHR
SCHEMBL15314178 0.71 TSHR (0.37) TSHR
SCHEMBL24722700 0.70 ALOX15 (0.39) ALOX15ALDH1A1LMNATHRBMAPK1

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-20230219918-A1 (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole GIVAUDAN SA (CH) 2023-07-13 — — US disclosed
US-20230219918-A1 (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole GIVAUDAN SA (CH) 2023-07-13 — — 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 (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-20230219918-A1 (3aS,4aR,5S,7aS,9R,9aR)-2,2,5,8,8,9a-hexamethyloctahydro-4H-4a,9-methanoazuleno[5,6-d][1,3]dioxole DHRS9, MSMO1, CYP4X1 ALOX15 763/4885ALDH1A1 669/4885LMNA 2850/4885

“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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