SCHEMBL5033759

SCHEMBL5033759

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC(=O)C(C)O)ccc4[C@H]3CC[C@]12C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.82
SMN1; SMN2 Q16637 5/20 0.82
CYP3A4 P08684 4/20 0.82
TP53 P04637 3/20 0.82
ESR1 P03372 6/20 0.76
LMNA P02545 7/20 0.71
KMT2A Q03164 6/20 0.71
MEN1 O00255 4/20 0.71
ALOX15 P16050 3/20 0.71
MAPK1 P28482 2/20 0.71
BRCA1 P38398 1/20 0.71
RECQL P46063 1/20 0.71
THRB P10828 1/20 0.70
ADORA3 P0DMS8 4/20 0.65
ATM Q13315 3/20 0.65
PGR P06401 2/20 0.65
AR P10275 2/20 0.65
CHRM1 P11229 2/20 0.65
TBXA2R P21731 2/20 0.65
ADRA1A P35348 1/20 0.65

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
SCHEMBL29351015 0.91 MAPT (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL29616163 0.91 MAPT (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL14094308 0.91 MAPT (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL17302844 0.91 MAPT (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL147461 0.91 MAPT (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL5029609 0.87 LMNA (0.78) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL6006672 0.87 LMNA (0.78) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL14598794 0.87 LMNA (0.78) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL2232043 0.87 ESR1 (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1
SCHEMBL12449418 0.87 ESR1 (1.00) MAPTSMN1; SMN2CYP3A4TP53ESR1

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
CN-101228177-A 3-ester prodrugs of estradiol WARNER CHILCOTT CO INC (US) 2008-07-23 CN disclosed
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 MAPT 4312/4885SMN1; SMN2 4856/4885CYP3A4 70/4885

“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.