SCHEMBL3363910

SCHEMBL3363910

C[C@]12CC[C@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2(O)C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 5/20 0.50
NR3C1 P04150 5/20 0.49
PGR P06401 4/20 0.49
AR P10275 3/20 0.49
HSD17B10 Q99714 3/20 0.49
LMNA P02545 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP2C19 P33261 2/20 0.47
HIF1A Q16665 2/20 0.47
ESR1 P03372 2/20 0.47
THRB P10828 1/20 0.47
TSHR P16473 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
CYP19A1 P11511 4/20 0.44
CYP17A1 P05093 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1A P35348 1/20 0.41

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
SCHEMBL8940014 1.00 SHBG (0.50) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940013 1.00 SHBG (0.50) SHBGNR3C1PGRARHSD17B10
SCHEMBL3363905 1.00 SHBG (0.50) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940012 1.00 SHBG (0.50) SHBGNR3C1PGRARHSD17B10
SCHEMBL3363903 1.00 SHBG (0.50) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940218 0.89 SHBG (0.48) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940214 0.89 SHBG (0.48) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940028 0.89 NR3C1 (0.61) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940128 0.89 NR3C1 (0.61) SHBGNR3C1PGRARHSD17B10
SCHEMBL8940008 0.89 NR3C1 (0.61) SHBGNR3C1PGRARHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 US claimed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US claimed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 WO disclosed
US-5565588-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing said steroids ROUSSEL UCLAF (FR) 1996-10-15 US disclosed
US-5352809-A 9-alpha-hydroxy steroids, process for their preparation, process for the preparation of the corresponding 9(11)-dehydro derivatives and pharmaceutical preparations containing such steroids GIST-BROCADES N.V. (NL) 1994-10-04 US disclosed
EP-0263569-B1 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1992-12-09 EP disclosed
EP-0294911-B1 PROCESS FOR THE PREPARATION OF 9(11)-DEHYDRO STEROIDS ROUSSEL-UCLAF (FR) 1992-10-14 EP disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
US-4921638-A 17β-cyano-9α,17α-dihydroxyandrost-4-en-3-one THE UPJOHN COMPANY (US) 1990-05-01 US disclosed
US-4917827-A Process for the preparation of 9(11)-dehydro steroids GIST-BROCADES N.V. (NL) 1990-04-17 US disclosed
EP-0294911-A1 Process for the preparation of 9(11)-dehydro steroids ROUSSEL-UCLAF (FR) 1988-12-14 EP disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 EP 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 (2 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SHBG 595/4885NR3C1 527/4885PGR 619/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 SHBG 1022/4885NR3C1 1596/4885PGR 1234/4885

“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.