SCHEMBL12874136

SCHEMBL12874136

O=C(NCCCCCCNC(=O)OCC1SCCCS1)OCC1SCCCS1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
FAAH O00519 1/20 0.37
ABHD16A O95870 1/20 0.37
PLA2G7 Q13093 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
DAGLB Q8NCG7 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
EPHX1 P07099 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL12889352 0.77 CHRNB2 (0.36) EPHX1
SCHEMBL161562 0.71 ALOX15 (0.34) FAAH
SCHEMBL29008700 0.70 ALDH1A1 (0.44) ACHEKMT2AEPHX1
SCHEMBL9381457 0.68 EPHX1 (0.54) ACHEEPHX1
SCHEMBL9387448 0.68 EPHX1 (0.54) ACHEEPHX1
SCHEMBL9382540 0.67 EPHX1 (0.53) ACHEEPHX1
SCHEMBL16126195 0.65 ALDH1A1 (0.39) ACHEKMT2AMEN1FAAHABHD16A
SCHEMBL14480342 0.64 ACHE (0.50) ACHEEPHX1TDP1
SCHEMBL1023071 0.64 ACHE (0.61) ACHEEPHX1
SCHEMBL12417367 0.64 ACHE (0.61) ACHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220009934-A1 NOVEL CARBAMATE ESTER COMPOUND AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME UNIMATEC CO., LTD. (JP) 2022-01-13 US disclosed
US-8288483-B2 Diurethane compound, process for producing the same, and acrylic rubber composition containing the same UNIMATEC CO., LTD. (JP) 2012-10-16 US disclosed
US-20110040043-A1 NOVEL DIURETHANE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME UNIMATEC CO., LTD. (JP) 2011-02-17 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 (2 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-20220009934-A1 NOVEL CARBAMATE ESTER COMPOUND AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME NCEH1, SUV39H1, CCNH ACHE 621/4885KMT2A 1033/4885MEN1 3239/4885
US-20110040043-A1 NOVEL DIURETHANE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ACRYLIC RUBBER COMPOSITION CONTAINING THE SAME NCAPH, ODC1, CTH ACHE 4304/4885KMT2A 893/4885MEN1 1539/4885

“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.