SCHEMBL4980565

SCHEMBL4980565

C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.45
EPHA2 P29317 2/20 0.42
GPBAR1 Q8TDU6 2/20 0.42
LMNA P02545 2/20 0.42
AKR1B10 O60218 1/20 0.42
AKR1B1 P15121 1/20 0.42
EFNA1 P20827 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42

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
SCHEMBL4980575 1.00 CYP19A1 (0.45) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL11520209 0.92 CYP19A1 (0.47) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL1331512 0.92 CYP19A1 (0.47) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL9623704 0.86 CYP19A1 (0.46) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL9623701 0.86 CYP19A1 (0.46) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL3710947 0.84 CYP19A1 (0.49) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL3363331 0.84 CYP19A1 (0.49) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL3363326 0.84 CYP19A1 (0.49) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL3708014 0.84 CYP19A1 (0.49) CYP19A1EPHA2GPBAR1LMNAAKR1B10
SCHEMBL5447175 0.84 CYP19A1 (0.49) CYP19A1EPHA2GPBAR1LMNAAKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein NG JOHN S 2008-01-31 US disclosed
EP-1148061-B1 Epoxidation process SEARLE LLC (US) 2007-10-17 EP disclosed
EP-0973791-B1 PROCESS FOR THE PREPARATION OF AN EPOXY COMPOUND SEARLE LLC (US) 2007-06-20 EP disclosed
EP-1794177-A2 PROCESS FOR PREPARING 7 -ALKOXYCARBONYL SUBSTITUTED STEROIDS Pharmacia Corporation (US) 2007-06-13 EP disclosed
US-20070060746-A1 PROCESSES FOR PREPARATION OF 9,11 EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN G.D. SEARLE, LLC (FORMERLY NAMED G.D. SEARLE & CO.) 2007-03-15 US disclosed
US-7129345-B2 Keto-substituted steroid compounds PHARMACIA CORPORATION (US) 2006-10-31 US disclosed
US-7112669-B2 Processes for preparation of 9,11-epoxy steroids and intermediates useful therein PHARMACIA CORPORATION (OF PFIZER, INC.) (US) 2006-09-26 US disclosed
US-7038040-B2 Process for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2006-05-02 US disclosed
WO-2006032970-A2 PROCESS FOR PREPARING 7α-ALKOXYCARBONYL SUBSTITUTED STEROIDS PHARMACIA CORPORATION (US) 2006-03-30 WO disclosed
US-20050272927-A1 Process for the preparation of 9, 11 epoxy steroids PHARMACIA & UPJOHN COMPANY LLC (US) 2005-12-08 US disclosed
EP-1167380-A2 11.alpha.-hydroxy-steroid-4,6-dien-3-one compounds and a process for their preparation G.D. Searle & Co. (US) 2002-01-02 EP disclosed
US-6335441-B1 5β-cyano-substituted steroid compounds G.D. SEARLE & CO. 2002-01-01 US disclosed
US-6331622-B1 Processes for preparation of 9, 11-epoxy steroids and intermediates useful therein G.D. SEARLE & CO. 2001-12-18 US disclosed
EP-1148061-A2 Process for preparation of 9, 11- epoxy steroids and intermediates useful therein G.D. SEARLE & CO. (US) 2001-10-24 EP disclosed
US-6258946-B1 CHEMICAL INTERMEDIATE FOR DIURETIC G. D. SEARLE & CO. 2001-07-10 US disclosed
US-6180780-B1 STEROIDS AND INTERMEDIATES AS DIURETICS G.D. SEARLE & CO. 2001-01-30 US disclosed
EP-0973791-A2 PROCESS FOR PREPARATION OF 7 ALPHA-CARBOXYL 9, 11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN AND A GENERAL PROCESS FOR THE EPOXIDATION OF OLIFINIC DOUBLE BONDS G.D. Searle & Co. (US) 2000-01-26 EP disclosed
US-5981744-A REMOVING AN 11-ALPHA LEAVING GROUP FROM STARTING COMPOUND TO GENERATE A DOUBLE BOND BETWEEN THE 9- AND 11-CARBON ATOMS G. D. SEARLE AND CO. (US) 1999-11-09 US disclosed
WO-1997021720-A2 PROCESSES FOR PREPARATION OF 7 ALPHA-CARBOXYL 9,11-EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN AND A GENERAL PROCESS FOR THE EPOXIDATION OF OLIFINIC DOUBLE BONDS G.D. SEARLE AND CO. (US) 1997-06-19 WO disclosed
US-4559332-A 20-Spiroxanes and analogues having an open ring E, processes for their manufacture, and pharmaceutical preparations thereof CIBA GEIGY CORPORATION (US) 1985-12-17 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 (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-20050272927-A1 Process for the preparation of 9, 11 epoxy steroids CYP11A1, CYP4A11, CYP11B1 CYP19A1 24/4885EPHA2 3239/4885GPBAR1 1070/4885
US-20080027237-A1 Processes for preparations of 9,11-epoxy steroids and intermediates useful therein CYP4A11, CYP11B1, CYP17A1 CYP19A1 14/4885EPHA2 659/4885GPBAR1 497/4885
US-20070060746-A1 PROCESSES FOR PREPARATION OF 9,11 EPOXY STEROIDS AND INTERMEDIATES USEFUL THEREIN DHCR7, CYP4A11, HSD11B1 CYP19A1 184/4885EPHA2 445/4885GPBAR1 519/4885

“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.