SCHEMBL3870706

SCHEMBL3870706

CC(C)(C)[Si](C)(C)Oc1ccc2c(c1)CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(=O)c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 12/20 0.58
STS P08842 4/20 0.57
ESR1 P03372 3/20 0.54
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 2/20 0.54
TP53 P04637 1/20 0.54
KMT2A Q03164 3/20 0.52
CA1 P00915 2/20 0.52
CA9 Q16790 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 2/20 0.52
NR3C1 P04150 1/20 0.52
SHBG P04278 1/20 0.52
FYN P06241 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
ADRA2C P18825 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52

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
SCHEMBL3865655 0.93 CA2 (0.64) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL19272462 0.92 CA2 (0.56) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL5152434 0.91 STS (0.56) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL19677971 0.90 CA2 (0.69) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL3870726 0.89 ESR1 (0.69) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL3866528 0.89 SMN1; SMN2 (0.64) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL6130932 0.88 LMNA (0.49) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL3866383 0.88 STS (0.56) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL3866820 0.88 ESR1 (0.56) CA2STSESR1MAPTSMN1; SMN2
SCHEMBL3864711 0.88 CA2 (0.56) CA2STSESR1MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US claimed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 US claimed
US-7534780-B2 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-05-19 US disclosed
US-20050288267-A1 Estradiol prodrugs BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-12-29 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-20050288267-A1 Estradiol prodrugs CYP19A1, ESR1, HSD17B11 CA2 2551/4885STS 104/4885ESR1 2/4885

“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.