SCHEMBL13097367

SCHEMBL13097367

CC(C)(O)CC(=O)N1CCc2cc(O)ccc2C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 7/20 0.62
ESR1 P03372 6/20 0.59
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CHEK1 O14757 9/20 0.48
FLT3 P36888 9/20 0.48
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MAP3K7 O43318 1/20 0.44
KIT P10721 1/20 0.44
RPS6KB1 P23443 1/20 0.44
PRKAG1 P54619 1/20 0.44

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
SCHEMBL30575087 0.85 ABHD6 (0.53) ESR2CHEK1FLT3HDAC8HDAC6
SCHEMBL30575056 0.80 ABHD6 (0.53) ESR2ESR1CHEK1FLT3HDAC6
SCHEMBL13097369 0.80 ESR2 (0.57) ESR2ESR1CA1CA2CA7
SCHEMBL13097107 0.78 ESR2 (0.56) ESR2ESR1CA1CA2CA7
SCHEMBL10681537 0.78 ESR2 (0.66) ESR2ESR1CA1CA2CA7
SCHEMBL23395334 0.78 ESR2 (0.79) ESR2ESR1CA1CA2CA7
SCHEMBL29590844 0.77 ESR2 (1.00) ESR2ESR1CA1CA2CA7
SCHEMBL450677 0.77 ESR2 (1.00) ESR2ESR1CA1CA2CA7
SCHEMBL3171430 0.76 ESR2 (0.68) ESR2ESR1CA1CA2CA7
SCHEMBL6957857 0.76 NR1H2 (0.57) ESR2ESR1CHEK1FLT3HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK ESR2 3727/4885ESR1 3686/4885CA1 4660/4885

“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.