SCHEMBL602258

SCHEMBL602258

C[C@]12CC[C@H](O)CC1=C[C@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
SHBG P04278 3/20 0.64
CYP3A4 P08684 3/20 0.64
MEN1 O00255 1/20 0.64
LMNA P02545 1/20 0.64
SERPINA6 P08185 1/20 0.64
GUSB P08236 1/20 0.64
G6PD P11413 1/20 0.64
PMP22 Q01453 1/20 0.64
KMT2A Q03164 1/20 0.64
GPBAR1 Q8TDU6 1/20 0.64
TSHR P16473 1/20 0.64
CYP19A1 P11511 4/20 0.53
GPR183 P32249 6/20 0.51
RORA P35398 2/20 0.51
RORC P51449 2/20 0.51
NPC1L1 Q9UHC9 2/20 0.51
OSBP P22059 1/20 0.48

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
SCHEMBL601163 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL14492219 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL14581228 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL14613791 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL10301214 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL1952526 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL301939 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL14613826 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL2921296 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4
SCHEMBL13753025 1.00 CA1 (0.66) CA1CA2CA9SHBGCYP3A4

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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324835-A Method for preparing 7 beta-hydroxy dehydroepiandrosterone by utilizing dehydroepiandrosterone and application 上海格苓凯生物科技有限公司 2024-07-12 CN claimed
EP-2300489-B1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS HARBOR THERAPEUTICS INC (US) 2015-11-11 EP claimed
US-20130066087-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS-2 Harbor Therapeutics, Inc. (US) 2013-03-14 US claimed
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways HUNTER-FLEMING LIMITED (GB) 2013-01-24 US claimed
US-8309746-B2 Methods for preparing 17-alkynyl-7-hydroxy steroids and related compounds Harbor Therapeutics, Inc (US) 2012-11-13 US claimed
EP-2300489-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS Harbor BioSciences, Inc. (US) 2011-03-30 EP claimed
WO-2008065408-A9 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2011-03-03 WO claimed
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS HUNTER-FLEMING LIMITED (GB) 2010-06-03 US claimed
US-20090326251-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-12-31 US claimed
WO-2009149392-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS HOLLIS-EDEN PHARMACEUTICALS, INC. (US) 2009-12-10 WO claimed
US-20070066579-A1 5-androsten-3beta-ol steroid intermediates and processs for their preparation WHITE MICHAEL J 2007-03-22 US claimed
EP-1679317-A2 5-Androsten-3 -ol steroid intermediates and processes for fheir preparation Pharmacia & Upjohn Company LLC (US) 2006-07-12 EP claimed
US-20050256095-A1 Asthma and colitis treatment methods BIOVIE INC. 2005-11-17 US claimed
EP-1294381-B1 NEUROPROTECTIVE 7-BETA-HYDROXYSTEROIDS HUNTER FLEMING LTD (GB) 2005-08-31 EP claimed
EP-1534732-A2 5 ANDROSTEN-3&bgr;-OL STEROID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION Pharmacia & Upjohn Company LLC (US) 2005-06-01 EP claimed
US-20050075321-A1 Neurological disorder treatment methods BIOVIE INC. 2005-04-07 US claimed
EP-1422234-A2 Immunomodulatory steroids, in particular the hemihydrate of 16.alpha.-bromoepiandrosterone Hollis-Eden Pharmaceuticals Inc. (US) 2004-05-26 EP claimed
WO-2004016640-A2 5 ANDROSTEN-3β-OL STEROID INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-26 WO claimed
US-20040034215-A1 5-Androsten-3beta-ol steroid intermediates and processes for their preparation PHARMACIA & UPJOHN COMPANY 2004-02-19 US claimed
US-20030060425-A1 Immune modulation method using steroid compounds BIOVIE INC. 2003-03-27 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 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-20030060425-A1 Immune modulation method using steroid compounds HSD3B1, NR5A1, HSD17B1 CA1 4009/4885CA2 4243/4885CA9 4274/4885
US-20070066579-A1 5-androsten-3beta-ol steroid intermediates and processs for their preparation CYP17A1, NR5A1, HSD3B2 CA1 3410/4885CA2 4638/4885CA9 3859/4885
US-20130023504-A1 Modulation of Prostaglandin/Cyclooxygenase Metabolic Pathways PTGES2, PTGES, PTGS2 CA1 4532/4885CA2 3492/4885CA9 4507/4885
US-20090326251-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS HSD17B11, ESRRA, HSD17B7 CA1 3733/4885CA2 4057/4885CA9 1787/4885
US-20130066087-A1 METHODS FOR PREPARING 17-ALKYNYL-7-HYDROXY STEROIDS AND RELATED COMPOUNDS-2 HSD17B11, ESRRA, ESRRB CA1 3861/4885CA2 3327/4885CA9 2044/4885
US-20050075321-A1 Neurological disorder treatment methods HSD17B1, HSD17B3, HSD3B1 CA1 1832/4885CA2 3530/4885CA9 4573/4885
US-20040034215-A1 5-Androsten-3beta-ol steroid intermediates and processes for their preparation CYP17A1, NR5A1, HSD3B2 CA1 3112/4885CA2 4632/4885CA9 3746/4885
US-20100137270-A1 MODULATION OF PROSTAGLANDIN/CYCLOOXYGENASE METABOLIC PATHWAYS PTGES2, PTGES, PTGS2 CA1 4532/4885CA2 3492/4885CA9 4507/4885
US-20050256095-A1 Asthma and colitis treatment methods HSD3B1, HSD17B1, HSD11B1 CA1 2438/4885CA2 2263/4885CA9 3504/4885

“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.