SCHEMBL6520708

SCHEMBL6520708

O=C(O)CC(C(=O)O)=C(CC(=O)Oc1cccc2ccccc12)CC(=O)Oc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
HPGD P15428 4/20 0.50
TDP1 Q9NUW8 1/20 0.50
HSD17B10 Q99714 3/20 0.49
PGR P06401 1/20 0.49
GAA P10253 1/20 0.49
PTGS1 P23219 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
RAB9A P51151 1/20 0.44
OGG1 O15527 1/20 0.43
FABP7 O15540 3/20 0.42
FABP3 P05413 3/20 0.42
FABP5 Q01469 3/20 0.42
ATM Q13315 1/20 0.41
ACKR3 P25106 1/20 0.41
MAPT P10636 1/20 0.40

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
SCHEMBL6523156 0.91 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL10347207 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL6520995 0.85 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL10347205 0.82 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL6514781 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL6515496 0.79 KMT2A (0.50) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL6522453 0.77 CYP19A1 (0.42) ALDH1A1HPGDTDP1HSD17B10KMT2A
SCHEMBL11370296 0.76 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL28117638 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL6522380 0.76 KMT2A (0.49) ALDH1A1KDM4ETDP1HSD17B10KMT2A

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 ALDH1A1 1254/4885KDM4E 329/4885HPGD 4110/4885

“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.