SCHEMBL7066480

SCHEMBL7066480

COc1ccc2ncc(COc3ccc(CC(C(C)=O)C(=O)O)cc3)c(OC(C)C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.42
EDNRA P25101 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOB P27338 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
F2 P00734 1/20 0.37
GLA P06280 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ICAM1 P05362 2/20 0.36
SELE P16581 2/20 0.36
VCAM1 P19320 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL7066025 0.96 MAPT (0.40) LDHAEDNRAKDM4EMAPK1NPSR1
SCHEMBL7070060 0.93 MAPT (0.40) LDHAEDNRAKDM4EMAPTSMN1; SMN2
SCHEMBL7069283 0.93 ICAM1 (0.39) LDHAEDNRAKDM4EMAPK1NPSR1
SCHEMBL7066779 0.91 ICAM1 (0.39) LDHAEDNRAKDM4EMAOBMAPT
SCHEMBL7070398 0.91 MAPT (0.42) KDM4ENPSR1MAOBMAPTSMN1; SMN2
SCHEMBL7069531 0.91 LDHA (0.40) LDHAEDNRAKDM4EMAPK1NPSR1
SCHEMBL7071902 0.90 PPARG (0.43) LDHAEDNRAKDM4EMAOBMAPT
Hydrochloric Acid SCHEMBL7066556 0.89 PPARG (0.42) LDHAEDNRAKDM4EMAOBMAPT
SCHEMBL7069467 0.89 MAPT (0.39) LDHAEDNRAKDM4ENPSR1MAOB
SCHEMBL7070604 0.88 MAPT (0.44) KDM4EMAPK1MAOBMAPTSMN1; SMN2

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-20030212100-A1 Quinoline derivatives and medicinal use thereof MITSUI CHEMICALS, INC. (JP) 2003-11-13 US disclosed
EP-1266888-A1 QUINOLINE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2002-12-18 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-20030212100-A1 Quinoline derivatives and medicinal use thereof PPARG, PPARD, PPARA LDHA 2228/4885EDNRA 2968/4885KDM4E 3239/4885

“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.