SCHEMBL6130909

SCHEMBL6130909

C[C@@]12CCCC1C1CCc3cc(OC(=O)c4ccc(S(N)(=O)=O)cc4)c(O)c(O)c3C1CC2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STS P08842 3/20 0.48
SHBG P04278 2/20 0.45
CA2 P00918 15/20 0.41
ESR1 P03372 2/20 0.41
CYP3A4 P08684 1/20 0.38
CA9 Q16790 2/20 0.37
CA1 P00915 1/20 0.37
LMNA P02545 1/20 0.37
NR3C1 P04150 1/20 0.37
FYN P06241 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADRA2C P18825 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2B P41595 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6130920 0.84 STS (0.42) STSSHBGCA2ESR1CYP3A4
SCHEMBL6869789 0.82 STS (0.64) STSSHBGCA2CA9
SCHEMBL6130914 0.77 CA2 (0.42) STSCA2ESR1CA9CA1
SCHEMBL3370529 0.77 STS (0.50) STSSHBGCA2ESR1CA9
SCHEMBL8216010 0.77 STS (0.52) STSSHBGCA2ESR1CA9
SCHEMBL3374308 0.77 STS (0.52) STSSHBGCA2ESR1CA9
SCHEMBL6130899 0.76 STS (0.44) STSSHBGCA2ESR1CYP3A4
SCHEMBL6130987 0.76 CA2 (0.40) STSCA2ESR1CA9CA1
SCHEMBL6130971 0.75 CA2 (0.58) STSCA2ESR1CYP3A4CA9
SCHEMBL8571107 0.75 SHBG (0.60) STSSHBGESR1LMNAKMT2A

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 STS 65/4885SHBG 25/4885CA2 3004/4885

“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.