SCHEMBL6130945

SCHEMBL6130945

C[C@]12CCC3c4c(cc(O)c(O)c4O)CCC3C1CC[C@@H]2OC(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 16/20 0.57
STS P08842 2/20 0.50
ESR1 P03372 2/20 0.49
CA1 P00915 1/20 0.49
CA9 Q16790 1/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
BRCA1 P38398 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL6130971 0.91 CA2 (0.58) CA2STSESR1CA1CA9
SCHEMBL3871356 0.87 CA2 (0.73) CA2STSESR1CA1CA9
SCHEMBL3872155 0.85 CA2 (0.66) CA2STSESR1CA1CA9
SCHEMBL6130940 0.84 CA2 (0.43) CA2STSESR1CA1CA9
SCHEMBL3866528 0.84 SMN1; SMN2 (0.64) CA2STSESR1CA1CA9
SCHEMBL3870726 0.84 ESR1 (0.69) CA2STSESR1CA1CA9
SCHEMBL3872170 0.83 CA2 (0.59) CA2STSESR1CA1CA9
SCHEMBL6130957 0.83 CA2 (0.41) CA2STSESR1CA1CA9
SCHEMBL3876321 0.82 SMN1; SMN2 (0.72) CA2STSESR1CA1CA9
SCHEMBL3864661 0.82 KMT2A (0.68) CA2STSESR1CA1CA9

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.