SCHEMBL5447175

SCHEMBL5447175

CC[C@@]1(O)CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@@]21C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
EFNA1 P20827 1/20 0.46
EPHA2 P29317 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATP1A1 P05023 1/20 0.45
ATP1B1 P05026 1/20 0.45
ATP1A3 P13637 1/20 0.45

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
SCHEMBL3363326 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3363331 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3708014 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3710947 1.00 CYP19A1 (0.49) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL5447445 0.92 GPBAR1 (0.51) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL3636500 0.88 CYP19A1 (0.48) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL1331512 0.86 CYP19A1 (0.47) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL11520209 0.86 CYP19A1 (0.47) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL9623704 0.85 CYP19A1 (0.46) CYP19A1AKR1B10AKR1B1EFNA1EPHA2
SCHEMBL9623701 0.85 CYP19A1 (0.46) CYP19A1AKR1B10AKR1B1EFNA1EPHA2

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-3083655-B1 A PROCESS FOR THE PRODUCTION OF 19-NORPREGN-4-EN-3,20-DIONE-17.ALPHA.-OL (GESTONORONE) AND INTERMEDIATES THEREFOR. RICHTER GEDEON NYRT (HU) 2018-02-07 EP disclosed
US-9562067-B2 Process for the production of 19-norpregn-4-en-3,20-dione-17α-ol(gestonorone) and intermediates therefor RICHTER GEDEON NYRT. (HU) 2017-02-07 US disclosed
US-20160297848-A1 A PROCESS FOR THE PRODUCTION OF 19-NORPREGN-4-EN-3,20-DIONE-17ALPHA-OL(GESTONORONE) AND INTERMEDIATES THEREFOR RICHTER GEDEON NYRT. (HU) 2016-10-13 US disclosed
WO-2015075693-A1 PROCESS FOR THE SYNTHESIS OF (11 BETA.17ALPHA)-17-ACETOXY-1 1 -METHYL-19-NORPREGN-4-EN-3.20-DIONE RICHTER GEDEON NYRT. (HU) 2015-05-28 WO disclosed
US-20070111973-A1 TREATMENT OF TUMOURS HAGSTROM TOMAS 2007-05-17 US disclosed
US-20050192262-A1 Treatment of tumours HAGSTROM, TOMAS (SE) 2005-09-01 US disclosed
US-5093502-A 14α,17α-dihydroxy-17β-substituted steroids AKZO N.V. (NL) 1992-03-03 US disclosed
EP-0189951-B1 NEW PROCESS FOR THE PREPARATION OF CERTAIN STEROIDS, ESPECIALLY INTERMEDIATES FOR THE PREPARATION OF PROLIGESTONE AND RELATED COMPOUNDS, AND NEW INTERMEDIATES FORMED IN THIS PROCESS AKZO N.V. (NL) 1989-09-20 EP disclosed
US-4831131-A 11β,17α-Dihydroxy-17β-cyano-androstanes THE UPJOHN COMPANY (US) 1989-05-16 US disclosed
EP-0189951-A1 New process for the preparation of certain steroids, especially intermediates for the preparation of proligestone and related compounds, and new intermediates formed in this process AKZO N.V. (NL) 1986-08-06 EP disclosed
EP-0188010-A1 New process for the preparation of certain steroids, especially intermediates for the preparation of proligestone and related compounds, and new intermediates formed in this process GIST-BROCADES N.V. (NL) 1986-07-23 EP disclosed
US-4585590-A Cyanohydrin process THE UPJOHN COMPANY (US) 1986-04-29 US disclosed
US-4548748-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-10-22 US disclosed
US-4500461-A Cyanohydrin process THE UPJOHN COMPANY (US) 1985-02-19 US disclosed
US-4154748-A Phosphate catalyzed acylation of steroidal tertiary alcohols THE UPJOHN COMPANY (US) 1979-05-15 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-20050192262-A1 Treatment of tumours SULT2A1, SULT1A1, HSD17B11 CYP19A1 20/4885AKR1B10 237/4885AKR1B1 82/4885
US-20070111973-A1 TREATMENT OF TUMOURS SULT2A1, SULT1A1, SULT1E1 CYP19A1 24/4885AKR1B10 286/4885AKR1B1 107/4885
US-20160297848-A1 A PROCESS FOR THE PRODUCTION OF 19-NORPREGN-4-EN-3,20-DIONE-17ALPHA-OL(GESTONORONE) AND INTERMEDIATES THEREFOR HSD17B11, CYP19A1, NR5A1 CYP19A1 2/4885AKR1B10 246/4885AKR1B1 109/4885

“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.