SCHEMBL6516628

SCHEMBL6516628

O=C(O)CC(C(=O)O)=C(CC(=O)CCc1ccccc1)c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
AVPR1A P37288 1/20 0.41
DRD4 P21917 2/20 0.41
KEAP1 Q14145 1/20 0.41
HPGD P15428 1/20 0.40
FFAR1 O14842 1/20 0.40
AKR1B1 P15121 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
SCHEMBL6516613 0.83 NR4A1 (0.45) CNR1CNR2KDM4EALDH1A1NR4A1
SCHEMBL6522193 0.82 GPR52 (0.47) MMP12GPR52CNR1CNR2CYP1A1
SCHEMBL6522201 0.82 GPR52 (0.47) MMP12GPR52CNR1CNR2CYP1A1
SCHEMBL6518911 0.82 CNR2 (0.50) GPR52CNR1CNR2KDM4EALDH1A1
SCHEMBL6524366 0.79 NR4A1 (0.46) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL6520296 0.76 NR4A1 (0.43) CNR1CNR2KDM4EALDH1A1NR4A1
SCHEMBL6520797 0.74 KMT2A (0.49) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL6515935 0.74 KDM2B (0.44) CNR1CNR2ALDH1A1NR4A1NR4A2
SCHEMBL6518030 0.74 PTPN1 (0.49) KDM4EALDH1A1NR4A1NR4A2NR4A3
SCHEMBL1532408 0.72 MMP12 (0.79) MMP12ALDH1A1KEAP1FFAR1

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 MMP12 3451/4885GPR52 2240/4885CNR1 1021/4885

“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.