SCHEMBL6130971

SCHEMBL6130971

C[C@]12CCC3c4c(cc(O)c(O)c4O)CCC3C1CC[C@@H]2OC(=O)c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.58
ESR1 P03372 1/20 0.55
STS P08842 3/20 0.50
CA9 Q16790 2/20 0.49
CA1 P00915 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 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

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
SCHEMBL6130945 0.91 CA2 (0.57) CA2ESR1STSCA9CA1
SCHEMBL3866395 0.85 CA2 (0.77) CA2ESR1STSCA9CA1
SCHEMBL3866409 0.85 CA2 (0.69) CA2ESR1STSCA9MEN1
SCHEMBL6130914 0.83 CA2 (0.42) CA2ESR1STSCA9CA1
SCHEMBL3872471 0.82 CA2 (0.61) CA2ESR1STSCA9MEN1
SCHEMBL6130987 0.82 CA2 (0.40) CA2ESR1STSCA9CA1
SCHEMBL3865655 0.78 CA2 (0.64) CA2ESR1STSCA9CA1
SCHEMBL16393337 0.77 CA2 (0.77) CA2ESR1STSCA9CA1
SCHEMBL3871356 0.77 CA2 (0.73) CA2ESR1STSCA9CA1
SCHEMBL3872155 0.76 CA2 (0.66) CA2ESR1STSCA9CA1

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 3004/4885ESR1 3/4885STS 65/4885

“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.