SCHEMBL5470926

SCHEMBL5470926

C[C@]12CC[C@@H]3c4ccc(O)c(O)c4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.72
ESR2 Q92731 7/20 0.72
LMNA P02545 2/20 0.72
MAPT P10636 2/20 0.72
MAPK1 P28482 2/20 0.72
KDM4E B2RXH2 1/20 0.72
MEN1 O00255 1/20 0.72
GAA P10253 1/20 0.72
G6PD P11413 1/20 0.72
PKM P14618 1/20 0.72
MPI P34949 1/20 0.72
KMT2A Q03164 1/20 0.72
CYP2C9 P11712 1/20 0.67
CYP2C19 P33261 1/20 0.67
HIF1A Q16665 1/20 0.67
NR3C1 P04150 1/20 0.67
SHBG P04278 1/20 0.67
PGR P06401 1/20 0.67
SERPINA6 P08185 1/20 0.67
AR P10275 1/20 0.67

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
SCHEMBL11489856 0.90 ESR1 (0.64) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL11650980 0.89 ESR1 (0.63) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL11651828 0.89 ESR1 (0.63) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL942015 0.87 ESR1 (0.60) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL5529413 0.87 ESR1 (0.60) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL5529409 0.87 ESR1 (0.60) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL224399 0.84 ESR1 (1.00) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL13123059 0.84 ESR1 (1.00) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL224398 0.84 ESR1 (1.00) ESR1ESR2LMNAMAPTMAPK1
SCHEMBL6009933 0.84 ESR1 (1.00) ESR1ESR2LMNAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240717-A2 Prevention of mammary carcinoma Board of Regents of the University of Nebraska (US) 1987-10-14 EP claimed
WO-2024259428-A2 ESTROGENIC COMPOUNDS AND FORMULATIONS FOR GESTATION-RELATED COMPLICATIONS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2024-12-19 WO disclosed
US-20070021624-A1 Steroid sulphatase inhibitors REED MICHAEL J 2007-01-25 US disclosed
US-20060035875-A1 Remedy for hormone-dependent cancer KYOWA HAKKO KIRIN CO., LTD. (JP) 2006-02-16 US disclosed
EP-1568381-A1 REMEDY FOR HORMONE-DEPENDENT CANCER KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-08-31 EP disclosed
EP-0240717-A2 Prevention of mammary carcinoma Board of Regents of the University of Nebraska (US) 1987-10-14 EP 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-20060035875-A1 Remedy for hormone-dependent cancer STS, CYP21A2, SHBG ESR1 215/4885ESR2 235/4885LMNA 4511/4885
US-20070021624-A1 Steroid sulphatase inhibitors STS, CYP21A2, SULT1E1 ESR1 462/4885ESR2 116/4885LMNA 4525/4885

“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.