SCHEMBL3876321

SCHEMBL3876321

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

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
MAPT P10636 2/20 0.72
CYP3A4 P08684 2/20 0.72
TP53 P04637 1/20 0.72
ESR1 P03372 4/20 0.62
LMNA P02545 3/20 0.62
ADORA3 P0DMS8 2/20 0.62
ATM Q13315 2/20 0.62
PGR P06401 1/20 0.62
AR P10275 1/20 0.62
CHRM1 P11229 1/20 0.62
TBXA2R P21731 1/20 0.62
ADRA1A P35348 1/20 0.62
OPRM1 P35372 1/20 0.62
SLC6A3 Q01959 1/20 0.62
CA2 P00918 12/20 0.61
STS P08842 3/20 0.61
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
THRB P10828 1/20 0.60

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
SCHEMBL3866528 0.95 SMN1; SMN2 (0.64) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3864661 0.93 KMT2A (0.68) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3870740 0.93 KMT2A (0.68) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3870726 0.92 ESR1 (0.69) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3871356 0.90 CA2 (0.73) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3299315 0.89 MAPT (0.81) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3870706 0.87 CA2 (0.58) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3868065 0.86 MAPT (0.66) SMN1; SMN2MAPTCYP3A4TP53ESR1
SCHEMBL3872155 0.86 CA2 (0.66) MAPTCYP3A4TP53ESR1LMNA
SCHEMBL17302844 0.85 MAPT (1.00) SMN1; SMN2MAPTCYP3A4TP53ESR1

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 SMN1; SMN2 4715/4885MAPT 3210/4885CYP3A4 23/4885

“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.