SCHEMBL7072783

SCHEMBL7072783

CCOC(=O)C(Cc1cccc(OCc2cnc3ccc(OC)cc3c2OC(C)C)c1)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 5/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.42
MAPK1 P28482 3/20 0.42
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
TP53 P04637 3/20 0.42
NMT2 O60551 1/20 0.41
EDNRA P25101 1/20 0.40
MMP13 P45452 1/20 0.38
MAOB P27338 1/20 0.38
FFAR1 O14842 1/20 0.38

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
Hydrochloric Acid SCHEMBL7067878 0.99 NMT1 (0.43) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7069528 0.93 MMP13 (0.41) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7070604 0.91 MAPT (0.44) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7070114 0.91 NMT1 (0.42) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7065980 0.88 MAPT (0.41) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7068896 0.87 MAPT (0.47) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7070398 0.87 MAPT (0.42) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7069279 0.86 PPARA (0.45) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
Hydrochloric Acid SCHEMBL7068853 0.86 MAPT (0.46) NMT1MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL7070064 0.86 MAPT (0.42) NMT1MAPTSMN1; SMN2TDP1ALDH1A1

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 NMT1 2241/4885MAPT 2433/4885SMN1; SMN2 3691/4885

“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.