SCHEMBL3370638

SCHEMBL3370638

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C=CC2=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.65
ESR2 Q92731 6/20 0.65
SHBG P04278 4/20 0.65
HSD17B10 Q99714 4/20 0.65
LMNA P02545 4/20 0.65
HSD17B1 P14061 3/20 0.65
STS P08842 3/20 0.65
PGR P06401 3/20 0.65
SERPINA6 P08185 3/20 0.65
AR P10275 3/20 0.65
SLC6A4 P31645 3/20 0.65
SNCA P37840 3/20 0.65
SLC6A3 Q01959 3/20 0.65
HIF1A Q16665 3/20 0.65
AKR1B10 O60218 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
MAPT P10636 2/20 0.65
AKR1B1 P15121 2/20 0.65
HTR2B P41595 2/20 0.65

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
SCHEMBL12164276 1.00 ESR1 (0.65) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL24946437 1.00 ESR1 (0.65) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL15965511 0.88 STS (0.49) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL12164090 0.84 LMNA (0.67) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL5024803 0.84 LMNA (0.67) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL2738485 0.84 LMNA (0.67) ESR1ESR2HSD17B10LMNAHSD17B1
SCHEMBL2360694 0.83 ESR1 (0.54) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL15984263 0.83 LMNA (0.54) ESR1ESR2LMNAHSD17B1STS
SCHEMBL10269569 0.83 LMNA (0.54) ESR1ESR2SHBGHSD17B10LMNA
SCHEMBL11683892 0.83 AKR1C3 (0.52) ESR1ESR2SHBGHSD17B10LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11633406-B2 Industrial process for the preparation of high purity estetrol RICHTER GEDEON NYRT. (HU) 2023-04-25 US disclosed
WO-2023001866-A1 PROCESSES FOR THE PREPARATION OF ESTETROL AND INTERMEDIATES THEREOF NEWCHEM S.P.A. (IT) 2023-01-26 WO disclosed
EP-3877395-B1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HIGH PURITY ESTETROL RICHTER GEDEON NYRT (HU) 2022-12-07 EP disclosed
WO-2021044302-A1 INDUSTRIAL PROCESS FOR THE PREPARATION OF HIGH PURITY ESTETROL RICHTER GEDEON NYRT. (HU) 2021-03-11 WO disclosed
US-20180265540-A1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS DONESTA BIOSCIENCE B.V. (NL) 2018-09-20 US disclosed
US-10000524-B2 Synthesis of estetrol via estrone derived steroids DONESTA BIOSCIENCE B.V. (NL) 2018-06-19 US disclosed
WO-2017211330-A1 15β-SUBSTITUTED ESTRONE DERIVATIVES AS SELECTIVE INHIBITORS OF 17β-HYDROXYSTEOID-DEHYDROGENASES, METHOD OF PREPARATION AND USE THEREOF USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2017-12-14 WO disclosed
US-20150105362-A1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS PANTARHEI BIOSCIENCE B.V. (NL) 2015-04-16 US disclosed
EP-1562976-B1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS PANTARHEI BIOSCIENCE BV (NL) 2010-05-26 EP disclosed
US-20060211669-A1 Synthesis of estetrol via estrone derived steroids DONESTA BIOSCIENCE B.V. (NL) 2006-09-21 US disclosed
EP-1562976-A2 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS Pantarhei Bioscience B.V. (NL) 2005-08-17 EP disclosed
WO-2004041839-A2 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS PANTARHEI BIOSCIENCE B.V. (NL) 2004-05-21 WO 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 (5 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-20180265540-A1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS CYP19A1, HSD17B11, CYP17A1 ESR1 6/4885ESR2 19/4885SHBG 50/4885
US-11633406-B2 Industrial process for the preparation of high purity estetrol CYP17A1, HSD3B2, HSD3B1 ESR1 106/4885ESR2 98/4885SHBG 146/4885
US-20150105362-A1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS CYP19A1, HSD17B11, CYP17A1 ESR1 6/4885ESR2 19/4885SHBG 50/4885
US-20060211669-A1 Synthesis of estetrol via estrone derived steroids CYP19A1, HSD17B11, CYP17A1 ESR1 9/4885ESR2 21/4885SHBG 42/4885
US-10000524-B2 Synthesis of estetrol via estrone derived steroids CYP19A1, HSD17B11, CYP17A1 ESR1 6/4885ESR2 19/4885SHBG 50/4885

“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.