SCHEMBL12969935

SCHEMBL12969935

CC(=O)O[C@H]1CC[C@]2(C)C3CC[C@@]4(C)C(CCC45OCCO5)C3C[C@@H]3O[C@@]32C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.39
▸ TDP1 Q9NUW8 3/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TP53 P04637 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ SMN1; SMN2 Q16637 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
SCHEMBL12804123 1.00 CYP3A4 (0.39) CYP3A4TDP1CYP2C9CYP2C19CYP17A1
SCHEMBL15277543 0.85 CYP17A1 (0.49) TDP1CYP17A1L3MBTL1TP53ALDH1A1
SCHEMBL12699075 0.83 CYP19A1 (0.39) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL9542528 0.83 CYP19A1 (0.39) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL15469938 0.83 CYP19A1 (0.39) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL9542522 0.83 CYP19A1 (0.39) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL9227727 0.82 CYP3A4 (0.41) CYP3A4TDP1CYP2C9CYP2C19CYP17A1
SCHEMBL17474687 0.82 ALDH1A1 (0.54) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL17474690 0.82 ALDH1A1 (0.54) CYP3A4TDP1CYP2C9CYP2C19TP53
SCHEMBL14284881 0.82 ALDH1A1 (0.54) CYP3A4TDP1CYP2C9CYP2C19TP53

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-20120252774-A1 STEROID TETROL SOLID STATE FORMS - 2 BIOVIE INC. 2012-10-04 — — 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-20120252774-A1 STEROID TETROL SOLID STATE FORMS - 2 NR5A1, NR3C2, HSD17B2 CYP3A4 472/4885TDP1 3132/4885CYP2C9 1802/4885

“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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