SCHEMBL3360281

SCHEMBL3360281

CC(OCc1ccccc1)C(OCc1ccccc1)n1ccc(=O)c(OCc2ccccc2)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LMNA P02545 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ GLRA1 P23415 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ RCE1 Q9Y256 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 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
SCHEMBL3361014 0.85 MEN1 (0.56) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3355255 0.72 HTT (0.55) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3361358 0.71 HTT (0.46) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3355462 0.71 HTT (0.53) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3357548 0.69 HTT (0.51) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30982659 0.69 HTT (0.51) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30982466 0.69 HTT (0.51) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30982820 0.69 HTT (0.51) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL29062601 0.69 HTT (0.50) HTTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30982530 0.68 HTT (0.42) HTTALDH1A1SMN1; SMN2MEN1KMT2A

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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 — — 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-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS PNPO, PGD, PDXK HTT 4051/4885ALDH1A1 1170/4885SMN1; SMN2 2855/4885

“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.

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