SCHEMBL7067231

SCHEMBL7067231

CCCCCCCOc1c(COc2ccccc2CC(OCC)C(=O)O)cnc2ccc(OC)cc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 7/20 0.40
PPARA Q07869 5/20 0.38
MAPT P10636 4/20 0.38
PPARG P37231 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PPARD Q03181 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.36
MTNR1A P48039 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL7067412 1.00 PLA2G2A (0.40) PLA2G2APPARAMAPTPPARGSMN1; SMN2
SCHEMBL7069897 0.94 MAPT (0.40) PLA2G2APPARAMAPTPPARGSMN1; SMN2
SCHEMBL7067408 0.93 MAPT (0.41) PLA2G2AMAPTSMN1; SMN2THRBALDH1A1
SCHEMBL7066803 0.92 MAPT (0.42) PPARAMAPTPPARGSMN1; SMN2PPARD
SCHEMBL7070910 0.91 MAPT (0.42) PPARAMAPTPPARGSMN1; SMN2PPARD
SCHEMBL7072268 0.90 PPARG (0.37) PPARAMAPTPPARGSMN1; SMN2PPARD
SCHEMBL7067676 0.88 MAPT (0.40) PPARAMAPTPPARGSMN1; SMN2PPARD
SCHEMBL7067409 0.88 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL7067228 0.88 PPARA (0.51) PPARAPPARGPPARD
SCHEMBL7069893 0.81 PPARA (0.53) PPARAPPARGPPARD

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 PLA2G2A 2819/4885PPARA 3/4885MAPT 2433/4885

“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.