SCHEMBL3872193

SCHEMBL3872193

CCOc1cc2c(cc1O)CCC1C2CC[C@@]2(C)C1CC[C@@H]2OC(=O)c1cc(S(N)(=O)=O)ccc1Cl

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.55
CA9 Q16790 2/20 0.55
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
ALOX15 P16050 2/20 0.51
MAPK1 P28482 2/20 0.51
KMT2A Q03164 2/20 0.51
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
STS P08842 2/20 0.51
ESR1 P03372 1/20 0.50
CA1 P00915 1/20 0.50
LMNA P02545 1/20 0.49
BRCA1 P38398 1/20 0.49
RECQL P46063 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
SCHEMBL3874580 0.93 CA2 (0.64) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3871788 0.89 CA2 (0.55) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3872471 0.89 CA2 (0.61) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3865630 0.88 CA2 (0.66) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3866385 0.87 CA2 (0.53) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3872468 0.87 CA2 (0.59) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3869672 0.87 CA2 (0.55) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3872170 0.87 CA2 (0.59) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3868625 0.82 CA2 (0.66) CA2CA9MEN1CYP3A4ALOX15
SCHEMBL3873054 0.81 CA2 (0.65) CA2CA9MEN1CYP3A4ALOX15

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 2551/4885CA9 1880/4885MEN1 1333/4885

“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.