SCHEMBL6026301

SCHEMBL6026301

COc1ccc2c(c1)CC[C@H]1[C@@H]3[C@@H](C)C[C@H](O)[C@@]3(C)CC[C@H]21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.68
HSD17B10 Q99714 4/20 0.68
ESR1 P03372 7/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B1 P14061 1/20 0.54
RECQL P46063 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ESR2 Q92731 2/20 0.53
CYP2C19 P33261 3/20 0.53
PGR P06401 2/20 0.53
SLC6A3 Q01959 2/20 0.53
CYP1A2 P05177 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP3A4 P08684 1/20 0.53
ABCC1 P33527 1/20 0.53
NR3C1 P04150 1/20 0.53
CNR1 P21554 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53

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
SCHEMBL12942778 1.00 LMNA (0.68) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL13797577 1.00 LMNA (0.68) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL7047055 0.85 LMNA (0.63) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL7047058 0.85 LMNA (0.63) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL12904926 0.84 LMNA (0.67) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL13797574 0.84 LMNA (0.67) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL13768825 0.84 LMNA (0.67) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL923334 0.84 LMNA (0.67) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL11234363 0.83 LMNA (0.72) LMNAHSD17B10ESR1SMN1; SMN2MAPT
SCHEMBL6025711 0.83 LMNA (0.57) LMNAHSD17B10ESR1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015211-B2 15α-substituted estradiol carboxylic acid esters as locally active estrogens YALE UNIVERSITY (US) 2006-03-21 US disclosed
WO-2004085345-A2 15α-SUBSTITUTED ESTRADIOL CARBOXYLIC ACID ESTERS AS LOCALLY ACTIVE ESTROGENS YALE UNIVERSITY (US) 2004-10-07 WO disclosed
US-20040198711-A1 15Alpha-substituted estradiol carboxylic acid esters as locally active estrogens YALE UNIVERSITY 2004-10-07 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 (1 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-20040198711-A1 15Alpha-substituted estradiol carboxylic acid esters as locally active estrogens ESR1, GPER1, ESR2 LMNA 1792/4885HSD17B10 353/4885ESR1 1/4885

“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.