SCHEMBL7066027

SCHEMBL7066027

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
MTNR1B P49286 6/20 0.38
MTNR1A P48039 5/20 0.38
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
F2 P00734 1/20 0.36
GLA P06280 1/20 0.36
EDNRA P25101 1/20 0.36
ICAM1 P05362 2/20 0.36
SELE P16581 2/20 0.36
VCAM1 P19320 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL7066492 0.96 MAPT (0.38) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7069288 0.95 ICAM1 (0.38) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7070063 0.95 MAPT (0.40) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7598993 0.94 MAPT (0.39) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7070400 0.93 MAPT (0.43) MAPTSMN1; SMN2THRBALDH1A1HPGD
Hydrochloric Acid SCHEMBL7597575 0.93 MAPT (0.39) MAPTSMN1; SMN2THRBALDH1A1HPGD
SCHEMBL7069471 0.91 MAPT (0.40) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7069540 0.89 MAPT (0.39) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7072769 0.88 MAPT (0.41) MAPTSMN1; SMN2THRBMTNR1BMTNR1A
SCHEMBL7070067 0.87 MAPT (0.42) MAPTSMN1; SMN2THRBALDH1A1HPGD

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 2433/4885SMN1; 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.