SCHEMBL3402210

SCHEMBL3402210

C[C@]12CC[C@@H]3c4c(O)cc(O)c(O)c4CC[C@H]3[C@H]1CC[C@H]2O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.68
ESR2 Q92731 8/20 0.68
LMNA P02545 4/20 0.68
MEN1 O00255 3/20 0.68
MAPT P10636 3/20 0.68
KMT2A Q03164 3/20 0.68
KDM4E B2RXH2 2/20 0.68
GAA P10253 2/20 0.68
G6PD P11413 2/20 0.68
PKM P14618 2/20 0.68
MAPK1 P28482 2/20 0.68
MPI P34949 1/20 0.68
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
DAB2IP Q5VWQ8 1/20 0.59
ADCY10 Q96PN6 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP19A1 P11511 6/20 0.58
HSD17B10 Q99714 3/20 0.55
TSHR P16473 2/20 0.55

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
SCHEMBL7517563 0.81 ESR1 (0.67) ESR1ESR2LMNAMEN1MAPT
SCHEMBL7924361 0.81 ESR1 (0.67) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6263461 0.81 ESR1 (0.67) ESR1ESR2LMNAMEN1MAPT
SCHEMBL29506781 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL6009933 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL224398 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL13123059 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL224399 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL12027477 0.81 ESR1 (1.00) ESR1ESR2LMNAMEN1MAPT
SCHEMBL5460095 0.80 ESR1 (0.68) ESR1ESR2LMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (4 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 19/4885LMNA 3160/4885
US-20150105362-A1 SYNTHESIS OF ESTETROL VIA ESTRONE DERIVED STEROIDS CYP19A1, HSD17B11, CYP17A1 ESR1 6/4885ESR2 19/4885LMNA 3160/4885
US-20060211669-A1 Synthesis of estetrol via estrone derived steroids CYP19A1, HSD17B11, CYP17A1 ESR1 9/4885ESR2 21/4885LMNA 3094/4885
US-10000524-B2 Synthesis of estetrol via estrone derived steroids CYP19A1, HSD17B11, CYP17A1 ESR1 6/4885ESR2 19/4885LMNA 3160/4885

“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.