SCHEMBL20015950

SCHEMBL20015950

C[C@]12C[C@@](C)(Oc3ccccc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.57
ESR2 Q92731 7/20 0.57
LMNA P02545 6/20 0.57
HSD17B10 Q99714 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KMT2A Q03164 3/20 0.57
TSHR P16473 2/20 0.57
NR3C1 P04150 2/20 0.57
SHBG P04278 2/20 0.57
SLC6A4 P31645 2/20 0.57
HTR2B P41595 2/20 0.57
PGR P06401 2/20 0.57
AR P10275 2/20 0.57
SLC6A3 Q01959 2/20 0.57
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL25304277 0.82 ESR1 (0.67) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL20010697 0.76 ESR1 (0.61) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL20015657 0.76 ESR1 (0.61) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL24399389 0.76 ESR1 (0.61) ESR1ESR2LMNAHSD17B10SMN1; SMN2
Estradiol SCHEMBL28211603 0.76 ESR1 (0.95) ESR1ESR2LMNAHSD17B10SMN1; SMN2
Estradiol SCHEMBL1741766 0.75 ESR1 (0.89) ESR1ESR2LMNAHSD17B10SMN1; SMN2
SCHEMBL8776086 0.75 ESR1 (0.54) ESR1ESR2LMNAHSD17B10SMN1; SMN2
Estradiol SCHEMBL9058664 0.74 ESR1 (0.97) ESR1ESR2LMNAHSD17B10SMN1; SMN2
Alfatradiol SCHEMBL28241801 0.74 ESR1 (0.87) ESR1ESR2LMNAHSD17B10SMN1; SMN2
Estradiol SCHEMBL21899742 0.74 ESR1 (0.85) ESR1ESR2LMNAHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400006-B2 Estrogen receptor modulators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-03 US disclosed
US-20180086787-A1 ESTROGEN RECEPTOR MODULATORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-03-29 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 (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-10400006-B2 Estrogen receptor modulators ESR2, ESRRA, ESRRB ESR1 5/4885ESR2 1/4885LMNA 1848/4885
US-20180086787-A1 ESTROGEN RECEPTOR MODULATORS ESR2, ESRRA, ESRRB ESR1 5/4885ESR2 1/4885LMNA 1848/4885

“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.