SCHEMBL6523946

SCHEMBL6523946

COCCOC(=O)/C=C/C(=O)OCC(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
TSHR P16473 2/20 0.47
PTPN1 P18031 1/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
MAPT P10636 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 3/20 0.44
GMNN O75496 2/20 0.44
POLB P06746 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

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
SCHEMBL6514656 0.88 NPC1 (0.55) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL6523592 0.82 NPC1 (0.54) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL6515390 0.81 NPC1 (0.56) NPC1PTPN1FNTAFNTBMAPT
SCHEMBL6515144 0.80 NPC1 (0.50) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL8396440 0.79 PTPN1 (0.61) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL6525924 0.78 KMT2A (0.56) NPC1TSHRMAPTMEN1KMT2A
SCHEMBL2119496 0.78 TSHR (0.72) TSHRMAPTKMT2AKDM4EALDH1A1
SCHEMBL6514918 0.77 NPC1 (0.45) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL4828442 0.76 NPC1 (0.59) NPC1TSHRPTPN1FNTAFNTB
SCHEMBL6518396 0.76 NPC1 (0.48) NPC1TSHRPTPN1FNTAFNTB

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 3563/4885TSHR 3581/4885PTPN1 3105/4885

“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.