SCHEMBL6130987

SCHEMBL6130987

C[C@]12CCC3c4c(cc(O)c(O)c4O)CCC3C1[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)CC2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.40
ESR1 P03372 1/20 0.39
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
PTPN11 Q06124 1/20 0.37
UBE2D3 P61077 2/20 0.36
STS P08842 3/20 0.34
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL6130957 0.91 CA2 (0.41) CA2ESR1UBE2D3STSCA1
SCHEMBL6130914 0.84 CA2 (0.42) CA2ESR1PTPN2PTPN1PTPN6
SCHEMBL6130971 0.82 CA2 (0.58) CA2ESR1STSCA1CA9
SCHEMBL6130909 0.76 STS (0.48) CA2ESR1STSCA1CA9
SCHEMBL6130940 0.75 CA2 (0.43) CA2ESR1STSCA1CA9
SCHEMBL6130945 0.73 CA2 (0.57) CA2ESR1STSCA1CA9
SCHEMBL6130968 0.69 CA2 (0.61) CA2ESR1STSCA1CA9
SCHEMBL6130920 0.68 STS (0.42) CA2ESR1PTPN2PTPN1PTPN6
SCHEMBL3866409 0.67 CA2 (0.69) CA2ESR1STSCA9
SCHEMBL3866395 0.67 CA2 (0.77) CA2ESR1STSCA1CA9

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 3/4885PTPN2 3541/4885

“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.