SCHEMBL2575667

SCHEMBL2575667

CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(C(CC)C(=O)O)c13)OCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ABCB1 P08183 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
POLB P06746 3/20 0.32
TDP1 Q9NUW8 3/20 0.32
RECQL P46063 2/20 0.32
CTDSP1 Q9GZU7 2/20 0.32
BLM P54132 2/20 0.32
ELAVL1 Q15717 2/20 0.32
MCL1 Q07820 1/20 0.32
APOBEC3A P31941 2/20 0.32
APOBEC3G Q9HC16 2/20 0.32

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
SCHEMBL2581042 0.88 ESR1 (0.37) KDM4EALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL2586348 0.86 ESR1 (0.37) ABCB1ESR1ESR2CNR1CNR2
SCHEMBL7912456 0.82 RAB9A (0.40) KDM4EALDH1A1HPGDABCB1ESR1
SCHEMBL2578934 0.81 ABCB1 (0.33) ABCB1ESR1ESR2CNR1CNR2
SCHEMBL12160478 0.81 ESR1 (0.38) ABCB1ESR1ESR2CNR1CNR2
SCHEMBL2584574 0.80 ABCB1 (0.32) ABCB1CNR1CNR2
SCHEMBL2581435 0.79 CHRM1 (0.41) KDM4EALDH1A1MAPK1SMN1; SMN2HPGD
SCHEMBL7913573 0.77 HRH3 (0.37) ABCB1ESR1ESR2
SCHEMBL2587899 0.77 ABCB1 (0.30) ABCB1
SCHEMBL7912511 0.77 RAB9A (0.41) KDM4EALDH1A1HPGDABCB1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
US-8592593-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-11-26 US disclosed
US-8304546-B2 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-11-06 US disclosed
US-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-11-03 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-20110269705-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION PARK7, SNCA, LRRK2 KDM4E 2224/4885ALDH1A1 858/4885MAPK1 846/4885

“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.