SCHEMBL3798376

SCHEMBL3798376

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nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.51
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.49
SHBG P04278 2/20 0.49
SERPINA6 P08185 2/20 0.49
MAPK1 P28482 2/20 0.49
HSD17B3 P37058 2/20 0.49
SNCA P37840 2/20 0.49
BLM P54132 2/20 0.49
PMP22 Q01453 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TSHR P16473 1/20 0.49
SRD5A2 P31213 4/20 0.48
SRD5A1 P18405 3/20 0.48

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
SCHEMBL8568513 0.86 SRD5A2 (0.45) SRD5A2SRD5A1
SCHEMBL8568510 0.86 SRD5A2 (0.45) SRD5A2SRD5A1
SCHEMBL8528520 0.84 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8528521 0.84 SRD5A2 (0.59) SRD5A2SRD5A1
SCHEMBL8531699 0.84 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8531693 0.84 SRD5A2 (0.54) SRD5A2SRD5A1
SCHEMBL8528628 0.84 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL8528626 0.84 SRD5A2 (0.60) SRD5A2SRD5A1
SCHEMBL9388464 0.82 SRD5A2 (0.44) SRD5A2SRD5A1
SCHEMBL3795725 0.79 CYP19A1 (0.42) CYP19A1LMNASHBGSERPINA6PMP22

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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 CYP19A1 4/4885ALDH1A1 116/4885LMNA 3302/4885

“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.