SCHEMBL6523485

SCHEMBL6523485

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
PTPN1 P18031 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
PMP22 Q01453 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
CMKLR1 Q99788 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP1A2 P05177 2/20 0.44

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 0.92 NPC1 (0.51) NPC1PTPN1FNTAFNTBALDH1A1
SCHEMBL6514918 0.89 NPC1 (0.45) NPC1PTPN1FNTAFNTBALDH1A1
SCHEMBL6518026 0.86 NPC1 (0.46) NPC1PTPN1FNTAFNTBALDH1A1
SCHEMBL6517349 0.85 NPC1 (0.48) NPC1PTPN1FNTAFNTBALDH1A1
SCHEMBL6520550 0.82 NPC1 (0.42) NPC1PTPN1ALDH1A1KDM4EMAPT
SCHEMBL6926548 0.80 PTPN1 (0.59) NPC1PTPN1ALDH1A1KDM4EMAPT
SCHEMBL6515547 0.78 KMT2A (0.48) NPC1ALDH1A1KDM4EMAPTHPGD
SCHEMBL6522603 0.77 KDM4E (0.51) NPC1PTPN1ALDH1A1KDM4EMAPT
SCHEMBL4828442 0.76 NPC1 (0.59) NPC1PTPN1FNTAFNTBALDH1A1
SCHEMBL8396440 0.76 PTPN1 (0.61) NPC1PTPN1FNTAFNTBALDH1A1

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 3105/4885FNTA 967/4885

“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.