SCHEMBL6520550

SCHEMBL6520550

C=C(CC(=O)OC1CCCCC1)C(=O)OCC(=O)c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX1 P07099 1/20 0.39
PTPN1 P18031 1/20 0.39
MAPT P10636 3/20 0.38
CNR1 P21554 4/20 0.38
CNR2 P34972 3/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.37
SSTR3 P32745 1/20 0.36
POLB P06746 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
SCHEMBL6525895 0.84 NPC1 (0.51) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6522229 0.83 MEN1 (0.44) ALDH1A1KDM4EMEN1KMT2AEPHX1
SCHEMBL6515212 0.82 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL6523485 0.82 NPC1 (0.49) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6516328 0.81 MEN1 (0.44) NPC1ALDH1A1MEN1KMT2AMAPT
SCHEMBL6518026 0.79 NPC1 (0.46) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6518396 0.78 NPC1 (0.48) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6517349 0.78 NPC1 (0.48) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6514918 0.77 NPC1 (0.45) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6513801 0.77 ALDH1A1 (0.42) NPC1ALDH1A1KDM4EHPGDHSD17B10

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 3563/4885ALDH1A1 1254/4885KDM4E 329/4885

“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.