SCHEMBL8393653

SCHEMBL8393653

CC12C=CC(=O)C=C1CCC1C2CCC2(C)C1CCC21CCC(=O)O1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.67
LMNA P02545 2/20 0.67
MAPT P10636 2/20 0.67
CYP3A4 P08684 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.51
NR3C1 P04150 1/20 0.50
PGR P06401 1/20 0.50
CHRM2 P08172 1/20 0.50
OPRK1 P41145 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B2 P37059 1/20 0.49

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
SCHEMBL11790270 0.82 LMNA (0.64) CYP19A1LMNAMAPTCYP3A4SMN1; SMN2
SCHEMBL17775770 0.82 LMNA (0.77) CYP19A1LMNAMAPTCYP3A4
Testolactone SCHEMBL2300061 0.80 CYP19A1 (1.00) CYP19A1LMNAMAPTCYP3A4
Testolactone SCHEMBL4053 0.80 CYP19A1 (1.00) CYP19A1LMNAMAPTCYP3A4
SCHEMBL10861103 0.80 LMNA (0.81) CYP19A1LMNAMAPTCYP3A4NR3C1
Methandrostenolone SCHEMBL8408550 0.80 LMNA (1.00) CYP19A1LMNAMAPTCYP3A4NR3C1
SCHEMBL5270893 0.80 LMNA (0.81) CYP19A1LMNAMAPTCYP3A4NR3C1
Methandrostenolone SCHEMBL4435272 0.80 LMNA (1.00) CYP19A1LMNAMAPTCYP3A4NR3C1
Methandrostenolone SCHEMBL21177905 0.80 LMNA (1.00) CYP19A1LMNAMAPTCYP3A4NR3C1
Methandrostenolone SCHEMBL16755284 0.80 LMNA (1.00) CYP19A1LMNAMAPTCYP3A4NR3C1

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-20090325918-A1 Synthesis and separation of optically active isomers and cyclopropyl derivatives of spironolactone and their biological action SOMBERG JOHN C 2009-12-31 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-20090325918-A1 Synthesis and separation of optically active isomers and cyclopropyl derivatives of spironolactone and their biological action HSD17B7, CYP17A1, HSD17B11 CYP19A1 6/4885LMNA 1139/4885MAPT 4595/4885

“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.