SCHEMBL13097136

SCHEMBL13097136

O=C(C1CCOCC1)N1CCC(Oc2cccc(OCc3ccccc3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
OPRK1 P41145 1/20 0.47
RORC P51449 1/20 0.47
MAPT P10636 2/20 0.46
NAMPT P43490 1/20 0.46
SPHK1 Q9NYA1 2/20 0.45
NAAA Q02083 2/20 0.45
SPHK2 Q9NRA0 2/20 0.45
RAB9A P51151 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
FFAR1 O14842 1/20 0.44
F10 P00742 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
SCHEMBL13097139 0.86 NAMPT (0.55) ALDH1A1KDM4ELMNAHTTOPRK1
SCHEMBL13097138 0.85 KDM4E (0.43) ALDH1A1KDM4ELMNAHTTTP53
SCHEMBL13097137 0.83 NAMPT (0.48) NAMPTRAB9A
SCHEMBL13106512 0.83 MAPT (0.51) MAPTNAMPTRAB9A
SCHEMBL13097133 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAOPRK1RORC
SCHEMBL13097143 0.82 HRH3 (0.44) ALDH1A1KDM4ELMNAHTTRORC
SCHEMBL13097116 0.81 GRIN2D (0.49) ALDH1A1HTTTP53SMN1; SMN2RORC
SCHEMBL13097639 0.80 CYP2D6 (0.66) KDM4ELMNAHTTMAPTRAB9A
SCHEMBL13349840 0.78 NAMPT (0.46) NAMPTRAB9A
SCHEMBL2195099 0.78 YAP1 (0.55)

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 2 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-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK ALDH1A1 524/4885KDM4E 1769/4885LMNA 2595/4885

“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.