SCHEMBL3615449

SCHEMBL3615449

CCC(C[N+]1(NC(=O)c2ccccc2OC)CCOCC1)OC(=O)Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 1/20 0.41
▸ KCNA3 P22001 1/20 0.41
▸ KCNK3 O14649 4/20 0.40
▸ KCNK9 Q9NPC2 4/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ AHR P35869 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CTSD P07339 1/20 0.38

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
SCHEMBL3516277 0.91 KMT2A (0.46) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13115460 0.83 MAPT (0.42) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL15031355 0.81 CTSD (0.45) MAPTRAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL13135884 0.81 MEN1 (0.42) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3620517 0.77 CTSD (0.43) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3521719 0.77 CTSD (0.43) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3515943 0.77 NPC1 (0.44) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3521477 0.75 CTSD (0.41) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL13115470 0.75 MAPT (0.43) KMT2AMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3521802 0.74 KMT2A (0.41) KMT2AMAPTRAB9ANPC1SMN1; SMN2

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-8466238-B2 Latent curing agents, epoxy resin compositions containing the same, sealing materials, and organic EL displays MITSUI CHEMICALS, INC. (JP) 2013-06-18 — — US disclosed
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 KMT2A 266/4885MAPT 1418/4885RAB9A 3425/4885

“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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