SCHEMBL6525895

SCHEMBL6525895

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
PTPN1 P18031 1/20 0.48
KDM4E B2RXH2 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 6/20 0.45
MAPT P10636 3/20 0.45
HPGD P15428 3/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.45
GMNN O75496 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
BLM P54132 2/20 0.43
PMP22 Q01453 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CMKLR1 Q99788 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL6523485 0.92 NPC1 (0.49) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL6517349 0.90 NPC1 (0.48) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL6514918 0.89 NPC1 (0.45) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL6518026 0.89 NPC1 (0.46) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL6520550 0.84 NPC1 (0.42) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL7040588 0.77 CDYL (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL6513324 0.77 KMT2A (0.50) NPC1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6524364 0.76 ALDH1A1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL4828442 0.75 NPC1 (0.59) NPC1PTPN1KDM4EMEN1KMT2A
SCHEMBL6520793 0.73 KMT2A (0.44) NPC1KDM4EMEN1KMT2AALDH1A1

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 3563/4885PTPN1 3105/4885KDM4E 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.