SCHEMBL6513820

SCHEMBL6513820

C=C(CC(=O)OCC(=O)OC(C)c1ccccc1)C(=O)OCC(=O)OC(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
KLK7 P49862 1/20 0.37
LPAR1 Q92633 1/20 0.36
OPRM1 P35372 3/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL6522180 0.94 NLRP3 (0.41) HCAR2ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6521140 0.88 KMT2A (0.40) HCAR2ALDH1A1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6518113 0.86 ALDH1A1 (0.48) ALDH1A1L3MBTL1GAAMAPTKMT2A
SCHEMBL8812407 0.84 HCAR2 (0.46) HCAR2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL7039893 0.82 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2L3MBTL1GAAMAPT
SCHEMBL6522589 0.81 TSHR (0.38) SMN1; SMN2L3MBTL1KDM4ELMNAPOLB
SCHEMBL6514718 0.78 HCAR2 (0.41) HCAR2MAPTKDM4EKMT2AKLK7
SCHEMBL10762397 0.77 HCAR2 (0.47) HCAR2ALDH1A1MAPTKDM4EKMT2A
SCHEMBL6520877 0.76 MMP8 (0.41) ALDH1A1SMN1; SMN2MAPTKMT2ALMNA
SCHEMBL3883004 0.76 HCAR2 (0.56) HCAR2ALDH1A1MAPTKDM4EKMT2A

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 HCAR2 3143/4885ALDH1A1 1254/4885SMN1; SMN2 1768/4885

“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.