SCHEMBL24871027

SCHEMBL24871027

C[C@]12CCC(=O)CC1[C@H](O)CC1C2CC[C@]2(C)C(=O)CCC12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.64
AKR1B10 O60218 2/20 0.64
AKR1B1 P15121 2/20 0.64
OR51E2 Q9H255 1/20 0.64
ATP1A1 P05023 1/20 0.61
ATP1B1 P05026 1/20 0.61
ATP1A3 P13637 1/20 0.61
ATP1B2 P14415 1/20 0.61
ATP1A2 P50993 1/20 0.61
ATP1B3 P54709 1/20 0.61
FXYD2 P54710 1/20 0.61
ATP1A4 Q13733 1/20 0.61
SHBG P04278 3/20 0.55
GPBAR1 Q8TDU6 4/20 0.54
LMNA P02545 3/20 0.54
CYP3A4 P08684 3/20 0.54
SERPINA6 P08185 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL4344128 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL17333675 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL17333638 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL15540039 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL23221125 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL21265466 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL17333639 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL21265421 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL22647782 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1
SCHEMBL12992106 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2ATP1A1

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-20230009312-A1 Androstane Derivatives with Activity as Pure or Predominantly Pure Stimulators of SERCA2a for the Treatment of Heart Failure. WINDTREE THERAPEUTICS, INC. (US) 2023-01-12 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-20230009312-A1 Androstane Derivatives with Activity as Pure or Predominantly Pure Stimulators of SERCA2a for the Treatment of Heart Failure. ATP2A1, ATP2A2, ATP2A3 CYP19A1 27/4885AKR1B10 577/4885AKR1B1 267/4885

“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.