SCHEMBL6695320

SCHEMBL6695320

CC1=C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@]3(O)C(N)=O)[C@@]2(C)CCC(=O)C=C12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.82
AR P10275 3/20 0.82
CHRM1 P11229 2/20 0.82
LMNA P02545 6/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NR3C1 P04150 4/20 0.63
HIF1A Q16665 4/20 0.63
CYP3A4 P08684 4/20 0.63
CYP2C9 P11712 3/20 0.63
NPSR1 Q6W5P4 2/20 0.63
MAPK1 P28482 2/20 0.63
ABCB11 O95342 1/20 0.63
POLB P06746 1/20 0.63
CYP19A1 P11511 6/20 0.62
TDP1 Q9NUW8 1/20 0.56
CYP2C19 P33261 5/20 0.49
ADORA3 P0DMS8 2/20 0.49
ALDH1A1 P00352 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
SCHEMBL6690848 0.92 PGR (0.83) PGRARCHRM1LMNASMN1; SMN2
SCHEMBL5020044 0.90 PGR (1.00) PGRARCHRM1LMNASMN1; SMN2
SCHEMBL8942 0.90 PGR (1.00) PGRARCHRM1LMNASMN1; SMN2
SCHEMBL16690685 0.90 PGR (1.00) PGRARCHRM1LMNASMN1; SMN2
SCHEMBL2294866 0.90 PGR (1.00) PGRARCHRM1LMNASMN1; SMN2
Acetic Acid SCHEMBL25192781 0.88 PGR (0.96) PGRARCHRM1LMNASMN1; SMN2
Acetic Acid SCHEMBL28104035 0.87 PGR (0.94) PGRARCHRM1LMNASMN1; SMN2
Ethylene Glycol SCHEMBL28094936 0.86 PGR (0.92) PGRARCHRM1LMNASMN1; SMN2
Medrogestone SCHEMBL1650494 0.82 PGR (0.78) PGRARCHRM1LMNASMN1; SMN2
Medrogestone SCHEMBL140614 0.82 PGR (0.78) PGRARCHRM1LMNASMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use ENDORECHERCHE, INC. 2004-04-29 US disclosed
EP-1321146-A2 Inhibitors of type 5 and 3 17beta-hydroxysteroid dehydrogenase and methods for their use Endorecherche Inc. (CA) 2003-06-25 EP disclosed
US-6541463-B1 17-spirolactone derivatives of steroids ENDORECHERCHE, INC. (CA) 2003-04-01 US disclosed
EP-1094798-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17beta-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE Endorecherche Inc. (CA) 2001-05-02 EP disclosed
WO-1999046279-A2 INHIBITORS OF TYPE 5 AND TYPE 3 17β-HYDROXYSTEROID DEHYDROGENASE AND METHODS FOR THEIR USE ENDORECHERCHE, INC. (CA) 1999-09-16 WO 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-20040082556-A1 Inhibitors of type 5 and type 3 17beta-hydroxysteroid dehydrogenase and methods for their use HSD17B11, HSD17B3, HSD17B1 PGR 521/4885AR 278/4885CHRM1 3804/4885

“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.