SCHEMBL6516699

SCHEMBL6516699

Cc1ccc(OC(=O)CC(=C(CC(=O)O)C(=O)O)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIRT5 Q9NXA8 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 1/20 0.39
KDM4A O75164 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
CDC25B P30305 1/20 0.38
TP53 P04637 1/20 0.38
PLK1 P53350 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37

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
SCHEMBL6520296 0.92 NR4A1 (0.43) TDP1L3MBTL1SIRT5MAPTKMT2A
SCHEMBL6520797 0.82 KMT2A (0.49) NPC1RAB9ATDP1MAPTKMT2A
SCHEMBL6523117 0.82 ELANE (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6514781 0.80 ALDH1A1 (0.44) TDP1L3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL6520861 0.79 KMT2A (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL6518882 0.79 KMT2A (0.46) NPC1RAB9ATDP1L3MBTL1MAPT
SCHEMBL6516613 0.77 NR4A1 (0.45) NPC1RAB9ATDP1MAPTKMT2A
SCHEMBL6518911 0.76 CNR2 (0.50) NPC1RAB9ATDP1L3MBTL1ALDH1A1
SCHEMBL6524366 0.75 NR4A1 (0.46) NPC1RAB9ATDP1MAPTKMT2A
SCHEMBL6513740 0.75 LMNA (0.45) NPC1TDP1L3MBTL1MAPTKMT2A

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-6958366-B2 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2005-10-25 US disclosed
US-20030118544-A1 Antifouling coating composition and novel resin DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-06-26 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-20030118544-A1 Antifouling coating composition and novel resin COL1A1, GLRA1, COL2A1 NPC1 3563/4885RAB9A 2333/4885TDP1 1789/4885

“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.