SCHEMBL20382964

SCHEMBL20382964

CCC(C)CCCCn1ccc(=O)c(OCc2ccccc2)c1C

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ HTT P42858 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ HPGD P15428 1/20 0.61
▸ NPC1 O15118 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.56
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ GRM2 Q14416 1/20 0.40
▸ MAPK14 Q16539 2/20 0.39

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
SCHEMBL6327211 0.85 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982746 0.85 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982687 0.85 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL30982572 0.85 MEN1 (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL20382958 0.85 HTT (0.71) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8108601 0.82 HTT (0.68) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3358984 0.82 HTT (0.75) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8108280 0.81 HTT (0.67) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL8102028 0.81 HTT (0.70) MEN1KMT2AHTTSMN1; SMN2ALDH1A1
SCHEMBL3289112 0.81 HTT (0.70) MEN1KMT2AHTTSMN1; SMN2ALDH1A1

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-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 — — 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-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF CAT, GPX1, AOC1 MEN1 2328/4885KMT2A 1247/4885HTT 2352/4885

“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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