SCHEMBL2581042

SCHEMBL2581042

CCCOc1cc2c(c3c(=O)c(-c4ccc(OC)cc4)cn(C(CC)C(=O)O)c13)CCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PTGS2 P35354 1/20 0.32
EDNRA P25101 2/20 0.32
EDNRB P24530 1/20 0.32
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL2575667 0.88 KDM4E (0.35) ESR1ESR2ALDH1A1SMN1; SMN2MAPK1
SCHEMBL2578644 0.86 ESR1 (0.42) ESR1ESR2ALDH1A1KDM4ECNR1
SCHEMBL3362491 0.84 ESR1 (0.38) ESR1ESR2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7910678 0.82 RAB9A (0.40) ESR1ESR2ALDH1A1MAPK1MAPT
SCHEMBL2586745 0.81 ESR1 (0.36) ESR1ESR2CNR1CNR2CLK1
SCHEMBL2586818 0.80 ESR1 (0.34) ESR1ESR2CNR1CNR2
SCHEMBL2581435 0.79 CHRM1 (0.41) ALDH1A1SMN1; SMN2MAPK1KDM4EHPGD
SCHEMBL2464402 0.77 ESR1 (0.33) ESR1ESR2
SCHEMBL7909989 0.77 ESR1 (0.39) ESR1ESR2
Hydrochloric Acid SCHEMBL2578962 0.77 ESR1 (0.38) ESR1ESR2

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 ESR1 2497/4885ESR2 3163/4885ALDH1A1 858/4885

“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.