SCHEMBL5973567

SCHEMBL5973567

C#C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CC)CC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.68
LMNA P02545 5/20 0.68
CYP3A4 P08684 4/20 0.68
ESR1 P03372 4/20 0.68
SHBG P04278 4/20 0.68
ABCB11 O95342 3/20 0.68
SLC6A4 P31645 3/20 0.68
CYP2C19 P33261 3/20 0.68
NR3C1 P04150 3/20 0.68
TSHR P16473 2/20 0.68
HIF1A Q16665 2/20 0.68
ALDH1A1 P00352 1/20 0.68
ADRA2A P08913 1/20 0.68
AR P10275 8/20 0.63
NR3C2 P08235 2/20 0.63
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 1/20 0.56
PDK1 Q15118 1/20 0.50
PDK2 Q15119 1/20 0.50

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
SCHEMBL9744774 0.89 PGR (0.64) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6871067 0.89 PGR (0.63) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6854107 0.89 PGR (0.63) PGRLMNACYP3A4ESR1SHBG
SCHEMBL2835215 0.87 PGR (0.72) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6873042 0.87 PGR (0.72) PGRLMNACYP3A4ESR1SHBG
SCHEMBL23805202 0.87 PGR (0.72) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6245967 0.87 PGR (0.72) PGRLMNACYP3A4ESR1SHBG
SCHEMBL13474744 0.84 AR (0.71) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6851958 0.84 PGR (0.58) PGRLMNACYP3A4ESR1SHBG
SCHEMBL6841815 0.82 PGR (0.59) PGRLMNACYP3A4ESR1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1237904-B1 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS AKZO NOBEL NV (NL) 2006-02-08 EP disclosed
US-6780854-B2 MALE CONTRACEPTION AKZO NOBEL NV (NL) 2004-08-24 US disclosed
US-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile VAN DER LOUW JAPP (NL) 2004-03-25 US disclosed
US-6706700-B2 NOVEL STEROIDS CONTAINING A 14 BETA ,15 BETA - CYCLOPROPANE RING AND A 17 ALPHA HYDROXYMETHYL GROUP; MALE CONTRACEPTIVES AKZO-NOBEL, N.V. (NL) 2004-03-16 US disclosed
EP-1203011-B1 ORALLY ACTIVE ANDROGENS AKZO NOBEL NV (NL) 2004-01-02 EP disclosed
EP-1343804-A1 14(15)-UNSATURATED 15- AND/OR 16- SUBSTITUTED ANDROGENS WITH MIXED ANDROGEN-PROGESTATIONAL PROFILE Akzo Nobel N.V. (NL) 2003-09-17 EP disclosed
US-20030100543-A1 Novel steroids containing a 14 beta ,15 beta - cyclopropane ring and a 17 alpha hydroxymethyl group; male contraceptives N.V. ORGANON (NL) 2003-05-29 US disclosed
US-6541465-B2 Delta 14 derivatives of 19- nortestosterone, useful for the preparation of a medicine for treating androgen insufficiency AKZO NOBEL N.V. (NL) 2003-04-01 US disclosed
EP-1237904-A2 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS Akzo Nobel N.V. (NL) 2002-09-11 EP disclosed
WO-2002048169-A1 14(15)-UNSATURATED 15- AND/OR 16- SUBSTITUTED ANDROGENS WITH MIXED ANDROGEN-PROGESTATIONAL PROFILE AKZO NOBEL N.V. (NL) 2002-06-20 WO disclosed
EP-1203011-A1 ORALLY ACTIVE ANDROGENS Akzo Nobel N.V. (NL) 2002-05-08 EP disclosed
US-20020022609-A1 Orally active androgens LOOZEN HUBERT JAN JOZEF (NL) 2002-02-21 US disclosed
US-6313108-B1 TREATING ANDROGEN INSUFFICIENCY AKZO NOBEL N.V. (NL) 2001-11-06 US disclosed
WO-2001040255-A2 14,15-BETA-METHYLENE SUBSTITUTED ANDROGENS AKZO NOBEL N.V. (NL) 2001-06-07 WO disclosed
WO-2001005806-A1 ORALLY ACTIVE ANDROGENS AKZO NOBEL N.V. (NL) 2001-01-25 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 (3 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-20030100543-A1 Novel steroids containing a 14 beta ,15 beta - cyclopropane ring and a 17 alpha hydroxymethyl group; male contraceptives CYP17A1, HSD17B11, HSD17B7 PGR 134/4885LMNA 3289/4885CYP3A4 160/4885
US-20020022609-A1 Orally active androgens NR5A1, AR, CYP17A1 PGR 84/4885LMNA 2728/4885CYP3A4 100/4885
US-20040059140-A1 14(15)-unsaturated 15- and/or 16-substituted androgens with mixed androgen-progrestational profile HSD17B11, CYP17A1, SHBG PGR 11/4885LMNA 2074/4885CYP3A4 173/4885

“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.