SCHEMBL5033738

SCHEMBL5033738

C[C@]12CCC3c4ccc(OC(=O)C(O)CC(=O)O)cc4CCC3C1CC[C@@H]2O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.72
LMNA P02545 5/20 0.72
SMN1; SMN2 Q16637 4/20 0.72
ADORA3 P0DMS8 2/20 0.72
ATM Q13315 2/20 0.72
PGR P06401 2/20 0.72
AR P10275 2/20 0.72
SLC6A3 Q01959 2/20 0.72
CHRM1 P11229 1/20 0.72
TBXA2R P21731 1/20 0.72
ADRA1A P35348 1/20 0.72
OPRM1 P35372 1/20 0.72
KMT2A Q03164 3/20 0.69
NR3C1 P04150 2/20 0.69
SHBG P04278 2/20 0.69
SLC6A4 P31645 2/20 0.69
HTR2B P41595 2/20 0.69
FYN P06241 1/20 0.69
ADRA2C P18825 1/20 0.69
SLC6A2 P23975 1/20 0.69

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
SCHEMBL14629604 0.90 ESR1 (0.70) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL14598805 0.90 ESR1 (0.70) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL6006672 0.88 LMNA (0.78) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL14598794 0.88 LMNA (0.78) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL5029609 0.88 LMNA (0.78) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL14598793 0.88 ESR1 (0.72) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL14257109 0.87 LMNA (0.83) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL28792824 0.86 ESR1 (0.88) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL28077837 0.85 ESR1 (0.77) ESR1LMNASMN1; SMN2ADORA3ATM
SCHEMBL28792822 0.85 LMNA (0.86) ESR1LMNASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910402-A2 3-ESTER PRODRUGS OF ESTRADIOL Warner Chilcott Company, Inc. (US) 2008-04-16 EP disclosed
WO-2007008474-A2 3 -ESTER PRODRUGS OF ESTRADIOL WARNER CHILCOTT COMPANY, INC. (US) 2007-01-18 WO disclosed
US-20070015741-A1 Novel prodrugs of estradiol WARNER CHILCOTT COMPANY LLC (PR) 2007-01-18 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-20070015741-A1 Novel prodrugs of estradiol CYP19A1, ESR1, HSD17B11 ESR1 2/4885LMNA 3659/4885SMN1; SMN2 4856/4885

“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.