SCHEMBL6521048

SCHEMBL6521048

COC(=O)/C=C/C(=O)OCC(=O)C1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NR1H4 Q96RI1 7/20 0.34
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL6521104 0.91 ALDH1A1 (0.39) HCAR2RAB9AALDH1A1LMNATHRB
SCHEMBL6515419 0.89 CES2 (0.39) RAB9AALDH1A1LMNATHRBHTT
SCHEMBL6523557 0.85 ATM (0.37) HCAR2RAB9AALDH1A1LMNATHRB
SCHEMBL6519734 0.85 HCAR2 (0.47) HCAR2ALDH1A1LMNATHRBMEN1
SCHEMBL6523452 0.81 EPHX1 (0.34) RAB9AALDH1A1LMNATHRBHTT
SCHEMBL6513751 0.80 EPHX1 (0.37) RAB9AALDH1A1LMNATHRBHTT
SCHEMBL6523997 0.80 EPHX1 (0.37) RAB9AALDH1A1LMNATHRBHTT
SCHEMBL6520377 0.80 ATM (0.59) HCAR2RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL6523073 0.79 ALDH1A1 (0.39) HCAR2RAB9AALDH1A1LMNATHRB
SCHEMBL6516594 0.77 HCAR2 (0.42) HCAR2KEAP1NFE2L2RAB9AALDH1A1

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 3143/4885KEAP1 1276/4885NFE2L2 2412/4885

“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.