SCHEMBL4585718

SCHEMBL4585718

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

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 8/20 0.64
AKR1B10 O60218 2/20 0.64
AKR1B1 P15121 2/20 0.64
OR51E2 Q9H255 1/20 0.64
GPBAR1 Q8TDU6 4/20 0.58
HSD17B3 P37058 4/20 0.58
LMNA P02545 3/20 0.58
CYP3A4 P08684 3/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
SHBG P04278 2/20 0.58
SERPINA6 P08185 2/20 0.58
MAPK1 P28482 1/20 0.58
PMP22 Q01453 1/20 0.58
G6PD P11413 1/20 0.58
CYP2D6 P10635 1/20 0.58
TSHR P16473 1/20 0.58
NFKB1 P19838 1/20 0.58
CYP2C19 P33261 1/20 0.58

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
SCHEMBL11518397 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL6254375 1.00 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11042029 0.86 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL3988004 0.86 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8533582 0.85 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11804277 0.82 SHBG (0.47) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8836157 0.81 ABL1 (0.61) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4886360 0.81 CYP19A1 (0.44) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL497634 0.81 G6PD (0.61) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4927255 0.80 CYP19A1 (0.56) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499338-A4 7-HYDROXY-16ALPHA-FLUORO-5-ANDROSTEN-17-ONES AND 7-HYDROXY-16ALPHA-FLUORO-5-ANDROSTAN-17-ONES AND DERIVATIVES THEREOF SCHWARTZ ARTHUR (US) 2008-06-18 EP disclosed
EP-1499338-A1 7-HYDROXY-16ALPHA-FLUORO-5-ANDROSTEN-17-ONES AND 7-HYDROXY-16ALPHA-FLUORO-5-ANDROSTAN-17-ONES AND DERIVATIVES THEREOF Schwartz, Arthur (US) 2005-01-26 EP disclosed
US-20040034003-A1 7-Hydroxy-16alpha-fluoro-5-androsten-17-ones and 7-hydroxy-16alpha-fluoro-5-androstan-17-ones and derivatives thereof BIOVIE INC. 2004-02-19 US disclosed
WO-2003092722-A1 7-HYDROXY-16α-FLUORO-5-ANDROSTEN-17-ONES AND 7-HYDROXY-16α-FLUORO-5-ANDROSTAN-17-ONES AND DERIVATIVES THEREOF SCHWARTZ ARTHUR (US) 2003-11-13 WO disclosed
US-5804576-A CANCER PREVENTIVE AGENTS, ANTI-OBESITY AGENTS, TREATMENT OF DIABETES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-09-08 US disclosed
US-5714481-A ADMINISTERING TO MAMMALIAN HOST A GLUCOSE-6-PHSOPHATE DEHYDROGENASE INHIBITOR, ANTICARCINOGENIC, ANTIOBASITY, ANTI-HYPERGLYCEMIC, ANTIAGING, ANTICHOLESTEROL AND ANTI-AUTOIMMUNE AGENT RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-02-03 US disclosed
US-5175154-A Antiobesity, antidiabetic, antilipemic, anticholesterol agents RESEARCH CORPORATION TECHNOLOGIES, INC. 1992-12-29 US disclosed
US-5028631-A Anticancer, antiobesity, anticholesterol NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-07-02 US disclosed
US-5001119-A 16-substituted androstanes and 16-substituted androstenes NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1991-03-19 US disclosed
US-4898694-A 17-Hydroxy-steroids NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1990-02-06 US disclosed
US-4150126-A ANTITUMOR AND ANTICARCINOGENIC AGENTS AND ANIBODY INHIBITORS AKTIEBOLAGET LEO (SE) 1979-04-17 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-20040034003-A1 7-Hydroxy-16alpha-fluoro-5-androsten-17-ones and 7-hydroxy-16alpha-fluoro-5-androstan-17-ones and derivatives thereof HSD17B11, CYP17A1, NR5A1 CYP19A1 6/4885AKR1B10 178/4885AKR1B1 144/4885

“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.