SCHEMBL6518906

SCHEMBL6518906

C=C(CC(=O)Oc1cccc2ccccc12)C(=O)OCC(=O)OCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
PGR P06401 1/20 0.40
GAA P10253 1/20 0.40
PTGS1 P23219 1/20 0.40
MAPK1 P28482 1/20 0.40
OGG1 O15527 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MGLL Q99685 1/20 0.37
ALOX5 P09917 1/20 0.37
MCL1 Q07820 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 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
SCHEMBL6516623 0.87 ALDH1A1 (0.40) CASP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6518071 0.85 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EHPGDTDP1
SCHEMBL6520288 0.84 ALDH1A1 (0.44) CASP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6524364 0.82 ALDH1A1 (0.44) CASP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6516611 0.80 ALDH1A1 (0.46) CASP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL6516694 0.78 MEN1 (0.44) ALDH1A1KMT2AKDM4EHPGDTDP1
SCHEMBL6519486 0.78 ABCB1 (0.45) ALDH1A1KDM4ETDP1ALOX5
SCHEMBL6522229 0.77 MEN1 (0.44) CASP1ALDH1A1KMT2AKDM4EHPGD
SCHEMBL8812410 0.77 TDP1 (0.54) ALDH1A1HPGDTDP1HSD17B10MAPK1
SCHEMBL6518132 0.77 TDP1 (0.45) ALDH1A1KDM4ETDP1MGLLALOX5

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 CASP1 1442/4885ALDH1A1 1254/4885KMT2A 1067/4885

“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.