SCHEMBL30440313

SCHEMBL30440313

CC(C)(C)OC(=O)NCCCCOc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.70
CA1 P00915 7/20 0.70
CA2 P00918 7/20 0.70
CA9 Q16790 7/20 0.70
TDP1 Q9NUW8 1/20 0.53
SUCNR1 Q9BXA5 7/20 0.51
MIF P14174 1/20 0.50
NR5A1 Q13285 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL10568289 0.91 CA12 (0.69) CA12CA1CA2CA9SUCNR1
SCHEMBL24920675 0.89 CA12 (0.62) CA12CA1CA2CA9TDP1
SCHEMBL24921300 0.89 CA12 (0.60) CA12CA1CA2CA9TDP1
SCHEMBL14313674 0.89 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL2147505 0.87 CA12 (0.69) CA12CA1CA2CA9TDP1
SCHEMBL16245772 0.87 CA12 (0.73) CA12CA1CA2CA9TDP1
SCHEMBL30212242 0.87 CA12 (0.57) CA12CA1CA2CA9TDP1
SCHEMBL25028474 0.86 CA12 (0.70) CA12CA1CA2CA9TDP1
SCHEMBL12461819 0.86 CA12 (0.67) CA12CA1CA2CA9TDP1
SCHEMBL15856108 0.86 CA12 (0.67) CA12CA1CA2CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11667621-B2 Antiestrogen compounds STEVENS INSTITUTE OF TECHNOLOGY (US) 2023-06-06 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-11667621-B2 Antiestrogen compounds ESR1, ESR2, ESRRG CA12 3387/4885CA1 2479/4885CA2 4146/4885

“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.