SCHEMBL13097528

SCHEMBL13097528

CCCCOc1cccc(OCc2[nH]c3ccccc3c(=O)c2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 1.00
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
MCL1 Q07820 3/20 0.43
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL13097533 0.87 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1
SCHEMBL13097656 0.86 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1
SCHEMBL13097572 0.86 CYP2D6 (0.75) CYP2D6CTSVCTSL
SCHEMBL3096296 0.84 CYP2D6 (0.79) CYP2D6CTSVCTSLMCL1HTT
SCHEMBL13097535 0.84 CYP2D6 (1.00) CYP2D6CTSVCTSLMCL1ALDH1A1
SCHEMBL13097602 0.83 CYP2D6 (0.70) CYP2D6CTSVCTSLMCL1
SCHEMBL3106396 0.83 CYP2D6 (0.70) CYP2D6CTSVCTSLMCL1
SCHEMBL13097970 0.83 CYP2D6 (0.70) CYP2D6CTSVCTSLMCL1KDM4E
SCHEMBL13097538 0.83 CYP2D6 (0.71) CYP2D6CTSVCTSLMCL1KDM4E
SCHEMBL13097603 0.82 CYP2D6 (0.81) CYP2D6CTSVCTSLMCL1KDM4E

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 CYP2D6 230/4885CTSV 1341/4885CTSL 1938/4885

“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.