SCHEMBL7066803

SCHEMBL7066803

CCOc1c(COc2ccccc2CC(OCC)C(=O)O)cnc2ccc(OC)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARA Q07869 8/20 0.40
PPARG P37231 7/20 0.40
PPARD Q03181 5/20 0.40
TP53 P04637 3/20 0.39
PDE10A Q9Y233 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL7070910 0.95 MAPT (0.42) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7069897 0.94 MAPT (0.40) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7067676 0.92 MAPT (0.40) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7067231 0.92 PLA2G2A (0.40) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7067412 0.92 PLA2G2A (0.40) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7066794 0.86 PPARA (0.56) PPARAPPARGPPARD
SCHEMBL7072687 0.85 PPARA (0.39) MAPTSMN1; SMN2THRBPPARAPPARG
SCHEMBL7070113 0.85 PPARG (0.40) MAPTALDH1A1RAB9AKDM4EPPARA
SCHEMBL7067917 0.85 PPARA (0.40) MAPTALDH1A1LMNAHPGDNPSR1
SCHEMBL7070221 0.85 MAPT (0.38) MAPTALDH1A1LMNAHPGDNPSR1

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 MAPT 2433/4885ALDH1A1 822/4885LMNA 1118/4885

“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.