SCHEMBL5907009

SCHEMBL5907009

CC1(C(=O)O)CC[C@H]2[C@@H]3CC=C4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.49
SRD5A2 P31213 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
SHBG P04278 4/20 0.39
CYP2C19 P33261 2/20 0.39
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 4/20 0.38
LMNA P02545 2/20 0.38
SERPINA6 P08185 2/20 0.38
CYP3A4 P08684 2/20 0.38
PMP22 Q01453 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
GUSB P08236 1/20 0.38
G6PD P11413 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
HSD17B10 Q99714 2/20 0.38
BLM P54132 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL9117103 0.79 SRD5A1 (0.42) SRD5A1SRD5A2SMN1; SMN2SHBGCYP2C19
SCHEMBL7529519 0.79 CYP19A1 (0.58) SRD5A1SHBGCYP19A1LMNASERPINA6
SCHEMBL3797856 0.79 CYP19A1 (0.58) SRD5A1SHBGCYP19A1LMNASERPINA6
SCHEMBL7617295 0.79 SRD5A1 (0.64) SRD5A1SHBGCYP19A1LMNASERPINA6
SCHEMBL7617290 0.79 SRD5A1 (0.64) SRD5A1SHBGCYP19A1LMNASERPINA6
SCHEMBL4421313 0.78 SRD5A1 (0.58) SRD5A1SRD5A2SHBGLMNASERPINA6
SCHEMBL12423999 0.78 SRD5A1 (0.58) SRD5A1SRD5A2SHBGLMNASERPINA6
SCHEMBL13603460 0.78 SRD5A1 (0.58) SRD5A1SRD5A2SHBGLMNASERPINA6
SCHEMBL14359642 0.78 SRD5A1 (0.58) SRD5A1SRD5A2SHBGLMNASERPINA6
SCHEMBL14185033 0.78 SRD5A1 (0.58) SRD5A1SRD5A2SHBGLMNASERPINA6

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-20060046994-A1 Process for preparing 3-oxo-4-aza-5-alpha-androstane-17-carboxylic acid DR. REDDY'S LABORATORIES, INC. 2006-03-02 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-20060046994-A1 Process for preparing 3-oxo-4-aza-5-alpha-androstane-17-carboxylic acid CYP17A1, CYP21A2, SRD5A2 SRD5A1 8/4885SRD5A2 3/4885SMN1; SMN2 4177/4885

“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.