SCHEMBL7040588

SCHEMBL7040588

C=C(CC(=O)OCC(=O)CCc1cccc2ccccc12)C(=O)OCC(=O)CCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL Q9Y232 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MCL1 Q07820 2/20 0.40
HPGD P15428 1/20 0.40
P2RX7 Q99572 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
NR2F2 P24468 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
ATM Q13315 1/20 0.37
FFAR1 O14842 1/20 0.37
AKR1B1 P15121 1/20 0.37

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 0.78 ALDH1A1 (0.40) KDM4EL3MBTL1HPGDTDP1MEN1
SCHEMBL6525895 0.77 NPC1 (0.51) KDM4EL3MBTL1HPGDTDP1MEN1
SCHEMBL9404001 0.75 MTNR1A (0.58) CDYLKDM4EMTNR1AMCL1P2RX7
SCHEMBL7340131 0.75 TDP1 (0.58) CDYLKDM4EMTNR1AMCL1P2RX7
SCHEMBL6516611 0.72 ALDH1A1 (0.46) KDM4EL3MBTL1HPGDTDP1MEN1
SCHEMBL30498970 0.71 CDYL (0.60) CDYLKDM4EMTNR1AL3MBTL1HPGD
SCHEMBL1989843 0.71 TDP1 (0.54) CDYLKDM4EMTNR1AMCL1P2RX7
SCHEMBL6615856 0.71 CDYL (0.60) CDYLKDM4EMTNR1AL3MBTL1HPGD
SCHEMBL6708222 0.71 MTNR1A (0.50) CDYLKDM4EMTNR1AMCL1P2RX7
SCHEMBL6515520 0.71 MGAM (0.34) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CDYL 2396/4885KDM4E 329/4885MTNR1A 2047/4885

“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.