Estradiol

Estradiol

SCHEMBL10039280

C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3C1CC[C@@H]2O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ESR1

The experimentally established mechanism targets of Estradiol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 known ✓ P03372 6/20 1.00
LMNA P02545 5/20 1.00
ESR2 Q92731 5/20 1.00
HSD17B10 Q99714 4/20 1.00
TSHR P16473 2/20 1.00
MEN1 O00255 2/20 1.00
KMT2A Q03164 2/20 1.00
MAPT P10636 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP2C19 P33261 2/20 1.00
HIF1A Q16665 2/20 1.00
NR3C1 P04150 2/20 1.00
SHBG P04278 2/20 1.00
PGR P06401 2/20 1.00
SERPINA6 P08185 2/20 1.00
AR P10275 2/20 1.00
SLC6A4 P31645 2/20 1.00
SNCA P37840 2/20 1.00
SLC6A3 Q01959 2/20 1.00
CYP1A2 P05177 1/20 1.00

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
Estradiol SCHEMBL961326 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL10039358 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL8049 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL19235633 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL15610005 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL15610524 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL24037697 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL7037626 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL18258335 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR
Estradiol SCHEMBL19217062 1.00 ESR1 (1.00) ESR1LMNAESR2HSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10695450-B2 Synthesis of a radioactive agent composition LABORATOIRES CYCLOPHARMA (FR) 2020-06-30 US disclosed
US-20180028695-A1 SYNTHESIS OF A RADIOACTIVE AGENT COMPOSITION GE HEALTHCARE LIMITED (GB) 2018-02-01 US disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
WO-2012020417-A1 PROCESS FOR THE PREPARATION OF ESTRADIOL AND ITS DERIVATIVES RELIANCE LIFE SCIENCES PVT. LTD. (IN) 2012-02-16 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 (2 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-10695450-B2 Synthesis of a radioactive agent composition MGMT, LPO, REV1 ESR1 4097/4885LMNA 2475/4885ESR2 1916/4885
US-20180028695-A1 SYNTHESIS OF A RADIOACTIVE AGENT COMPOSITION MGMT, LPO, REV1 ESR1 4097/4885LMNA 2475/4885ESR2 1916/4885

“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.