SCHEMBL3802034

SCHEMBL3802034

C[C@]12CCC(=O)NC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(I)=CC[C@@H]12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
SRD5A2 P31213 4/20 0.40
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 9/20 0.40
AKR1C3 P42330 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
SERPINA6 P08185 1/20 0.38
GUSB P08236 1/20 0.38
CYP3A4 P08684 1/20 0.38
G6PD P11413 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
TSHR P16473 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
SCHEMBL10273329 0.93 CYP19A1 (0.46) SRD5A1CYP19A1
SCHEMBL7529519 0.83 CYP19A1 (0.58) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL3797856 0.83 CYP19A1 (0.58) SRD5A1CYP19A1MEN1LMNASHBG
SCHEMBL3803500 0.81 SRD5A1 (0.50) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL3803940 0.81 CYP17A1 (0.57) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL3803939 0.81 CYP17A1 (0.57) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL7523372 0.81 CYP17A1 (0.57) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL7523365 0.81 CYP17A1 (0.57) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL7523360 0.81 CYP17A1 (0.57) SRD5A1SRD5A2CYP17A1CYP19A1MEN1
SCHEMBL5183886 0.81 SRD5A1 (0.53) SRD5A1SRD5A2CYP17A1CYP19A1

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-0705273-B1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP claimed
US-5583228-A 17-halogeno-4-azaandrostene derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US claimed
EP-0705273-A1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP claimed
WO-1995000532-A1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO claimed
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 US disclosed
EP-0705273-B1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP disclosed
EP-0705272-B1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZET (HU) 2002-03-27 EP disclosed
US-5583228-A 17-halogeno-4-azaandrostene derivatives and process for the preparation thereof RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed
US-5583138-A REDUCTASE INHIBITOR; SKIN DISORDERS RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1996-12-10 US disclosed
EP-0705273-A1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP disclosed
EP-0705272-A1 NOVEL PROCESS FOR PREPARING 17 BETA-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1996-04-10 EP disclosed
EP-0662977-A1 NOVEL 17$g(b)-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1995-07-19 EP disclosed
WO-1995000532-A1 17-HALOGENO-4-AZAANDROSTENE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO disclosed
WO-1995000531-A1 NOVEL PROCESS FOR PREPARING 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES Richter Gedeon Vegyészeti Gyár Rt. (HU) 1995-01-05 WO disclosed
WO-1994007909-A1 NOVEL 17β-SUBSTITUTED 4-AZAANDROSTANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME Richter Gedeon Vegyészeti Gyár Rt. (HU) 1994-04-14 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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 SRD5A1 24/4885SRD5A2 27/4885CYP17A1 1/4885

“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.