SCHEMBL7066492

SCHEMBL7066492

COc1ccc2ncc(COc3ccccc3CC(C(C)=O)C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
THRB P10828 1/20 0.38
EDNRA P25101 1/20 0.37
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
PLA2G10 O15496 1/20 0.36
SGMS2 Q8NHU3 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
SCHEMBL7066027 0.96 MAPT (0.41) MAPTSMN1; SMN2THRBEDNRAMTNR1A
SCHEMBL7598993 0.95 MAPT (0.39) MAPTSMN1; SMN2THRBEDNRAMTNR1A
Hydrochloric Acid SCHEMBL7597575 0.95 MAPT (0.39) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7069288 0.93 ICAM1 (0.38) MAPTSMN1; SMN2THRBMTNR1AMTNR1B
SCHEMBL7070063 0.93 MAPT (0.40) MAPTSMN1; SMN2THRBEDNRAMTNR1A
SCHEMBL7070400 0.91 MAPT (0.43) MAPTSMN1; SMN2THRBALDH1A1LMNA
SCHEMBL7069540 0.91 MAPT (0.39) MAPTSMN1; SMN2THRBEDNRAMTNR1A
SCHEMBL7069471 0.89 MAPT (0.40) MAPTSMN1; SMN2THRBEDNRAMTNR1A
SCHEMBL7066511 0.89 PPARA (0.44) MAPTSMN1; SMN2THRBEDNRACYP1A2
SCHEMBL7603824 0.88 LMNA (0.38) MAPTSMN1; SMN2THRBEDNRAMTNR1A

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 1 patent. 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

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 2433/4885SMN1; SMN2 3691/4885THRB 956/4885

“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.