SCHEMBL3866394

SCHEMBL3866394

C[C@]12CCC3c4ccc(OC(=O)c5ccc(S(N)(=O)=O)cc5)cc4CCC3C1CC[C@@H]2O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.79
ESR1 P03372 5/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
ADORA3 P0DMS8 2/20 0.79
ATM Q13315 2/20 0.79
NR3C1 P04150 2/20 0.79
SHBG P04278 2/20 0.79
SLC6A4 P31645 2/20 0.79
HTR2B P41595 2/20 0.79
KMT2A Q03164 2/20 0.79
FYN P06241 1/20 0.79
ADRA2C P18825 1/20 0.79
SLC6A2 P23975 1/20 0.79
HTT P42858 1/20 0.79
PGR P06401 2/20 0.70
AR P10275 2/20 0.70
SLC6A3 Q01959 2/20 0.70
CHRM1 P11229 1/20 0.70
TBXA2R P21731 1/20 0.70
ADRA1A P35348 1/20 0.70

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 Benzoate SCHEMBL14360474 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL29486378 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL9320465 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL174896 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL12187133 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL12180364 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL18467889 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL301616 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL22049057 0.88 ESR1 (1.00) LMNAESR1SMN1; SMN2ADORA3ATM
Estradiol Benzoate SCHEMBL20770923 0.87 ESR1 (0.98) LMNAESR1SMN1; SMN2ADORA3ATM

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-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US claimed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 US claimed
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 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 (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-20050288267-A1 Estradiol prodrugs CYP19A1, ESR1, HSD17B11 LMNA 2824/4885ESR1 2/4885SMN1; SMN2 4715/4885

“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.