SCHEMBL13135885

SCHEMBL13135885

CCC(C[N+](C)(C)NC(=O)c1ccc(OC)cc1OC)OC(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.46
▸ KMT2A Q03164 6/20 0.46
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ AHR P35869 1/20 0.44
▸ KLF5 Q13887 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL13135883 0.85 MAPT (0.48) KMT2ANPC1RAB9AALDH1A1GAA
SCHEMBL13115459 0.84 TDP1 (0.44) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15031305 0.78 TP53 (0.53) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13135884 0.77 MEN1 (0.42) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL4141992 0.75 KMT2A (0.75) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL30786728 0.75 KMT2A (0.75) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL29627549 0.74 KMT2A (0.73) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15031354 0.74 MEN1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13115462 0.73 L3MBTL1 (0.41) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL13135011 0.72 CTSD (0.45) MEN1KMT2ANPC1RAB9AALDH1A1

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-20100253213-A1 LATENT CURING AGENTS, EPOXY RESIN COMPOSITIONS CONTAINING THE SAME, SEALING MATERIALS, AND ORGANIC EL DISPLAYS MITSUI CHEMICALS, INC (JP) 2010-10-07 — — 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-20100253213-A1 LATENT CURING AGENTS, EPOXY RESIN COMPOSITIONS CONTAINING THE SAME, SEALING MATERIALS, AND ORGANIC EL DISPLAYS LTA4H, EPHX2, EPHX1 MEN1 3875/4885KMT2A 266/4885NPC1 1783/4885

“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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