SCHEMBL13097234

SCHEMBL13097234

CC(C)(C)OC(=O)N1CCc2cc(OCC3CCOCC3)ccc2C1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.56
▸ F10 P00742 8/20 0.51
▸ NR1H2 P55055 1/20 0.50
▸ ABHD6 Q9BV23 2/20 0.49
▸ GPR119 Q8TDV5 1/20 0.46
▸ MOGAT2 Q3SYC2 1/20 0.45
▸ ACACB O00763 3/20 0.45
▸ ENPP2 Q13822 1/20 0.43

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
SCHEMBL6192884 0.85 F10 (0.65) ESR2F10
SCHEMBL14781495 0.85 ESR2 (0.60) ESR2F10NR1H2ABHD6GPR119
SCHEMBL6189777 0.84 F10 (0.66) ESR2F10NR1H2ABHD6GPR119
SCHEMBL3874222 0.84 ABHD6 (0.67) ESR2F10NR1H2ABHD6GPR119
SCHEMBL17583901 0.83 ESR2 (0.61) ESR2NR1H2ABHD6GPR119MOGAT2
SCHEMBL14781510 0.82 ESR2 (0.67) ESR2NR1H2ABHD6GPR119ACACB
SCHEMBL6673187 0.82 F10 (0.59) ESR2F10NR1H2GPR119
SCHEMBL6186177 0.81 F10 (0.70) F10NR1H2
SCHEMBL27229616 0.80 NR1H2 (0.55) ESR2F10NR1H2ABHD6GPR119
SCHEMBL30970509 0.80 NR1H2 (0.55) ESR2F10NR1H2ABHD6GPR119

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 3727/4885F10 1624/4885NR1H2 205/4885

“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.

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