SCHEMBL6130940

SCHEMBL6130940

C[C@]12CCC3c4c(cc(O)c(O)c4O)CCC3C1C[C@@H](OC(=O)c1cccc(S(N)(=O)=O)c1)C2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.43
STS P08842 4/20 0.36
ESR1 P03372 2/20 0.36
CYP3A4 P08684 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
NR3C1 P04150 1/20 0.35
SHBG P04278 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR2B P41595 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6130914 0.91 CA2 (0.42) CA2STSESR1CA1CA9
SCHEMBL6130957 0.85 CA2 (0.41) CA2STSESR1CYP3A4CA1
SCHEMBL6130945 0.84 CA2 (0.57) CA2STSESR1CYP3A4CA1
SCHEMBL6130987 0.75 CA2 (0.40) CA2STSESR1CA1CA9
SCHEMBL6130971 0.74 CA2 (0.58) CA2STSESR1CYP3A4CA1
SCHEMBL3845724 0.74 CA2 (0.41) CA2STSESR1CA1CA9
SCHEMBL5172821 0.74 CA2 (0.41) CA2STSESR1CA1CA9
SCHEMBL5149829 0.74 CA2 (0.41) CA2STSESR1CA1CA9
SCHEMBL2214509 0.74 CA2 (0.41) CA2STSESR1CA1CA9
SCHEMBL6130899 0.72 STS (0.44) CA2STSESR1CYP3A4CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277625-A1 Estriol and estetrol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-15 US claimed
US-20050277625-A1 Estriol and estetrol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-15 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-20050277625-A1 Estriol and estetrol prodrugs HSD17B11, CYP19A1, ESR1 CA2 3004/4885STS 65/4885ESR1 3/4885

“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.