SCHEMBL6130968

SCHEMBL6130968

C[C@]12CCC3c4ccc(O)cc4CCC3C1C[C@@H](OC(=O)c1ccc(S(N)(=O)=O)cc1)[C@@H]2O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.61
ESR1 P03372 3/20 0.58
ESR2 Q92731 2/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
HIF1A Q16665 1/20 0.57
NR3C1 P04150 1/20 0.57
SHBG P04278 1/20 0.57
PGR P06401 1/20 0.57
SERPINA6 P08185 1/20 0.57
AR P10275 1/20 0.57
PTGS1 P23219 1/20 0.57
SLC6A4 P31645 1/20 0.57
SNCA P37840 1/20 0.57
SLC6A3 Q01959 1/20 0.57
OR51E2 Q9H255 1/20 0.57
UGT1A10 Q9HAW8 1/20 0.57
STS P08842 2/20 0.55
CA1 P00915 1/20 0.55

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
SCHEMBL6130964 0.92 CA2 (0.59) CA2ESR1ESR2LMNACYP2C9
SCHEMBL6130919 0.89 CA2 (0.60) CA2ESR1ESR2LMNACYP2C9
SCHEMBL6130960 0.87 CA2 (0.51) CA2ESR1LMNANR3C1SHBG
SCHEMBL3866395 0.86 CA2 (0.77) CA2ESR1LMNAHIF1APGR
SCHEMBL6130990 0.86 CA2 (0.58) CA2ESR1ESR2LMNASTS
SCHEMBL6130991 0.85 CA2 (0.58) CA2ESR1ESR2LMNASTS
SCHEMBL16393374 0.84 CA2 (0.61) CA2ESR1ESR2LMNACYP2C9
SCHEMBL16393396 0.83 CA2 (0.59) CA2ESR1ESR2LMNACYP2C9
SCHEMBL1999913 0.83 LMNA (0.71) ESR1ESR2LMNACYP2C9CYP2C19
SCHEMBL7518726 0.83 LMNA (0.71) ESR1ESR2LMNACYP2C9CYP2C19

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 3/4885ESR2 4/4885

“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.