SCHEMBL13115457

SCHEMBL13115457

CCC(C[N+](C)(C)[N-]C(=O)c1ccc(OC)cc1)OC(=O)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ KLK7 P49862 4/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 5/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNK9 Q9NPC2 1/20 0.40
▸ CYP19A1 P11511 2/20 0.40

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
SCHEMBL13115459 0.85 TDP1 (0.44) SMN1; SMN2GAAALDH1A1HTTLMNA
SCHEMBL13135883 0.82 MAPT (0.48) SMN1; SMN2GAAALDH1A1HTTLMNA
SCHEMBL13115468 0.75 LMNA (0.43) SMN1; SMN2GAAALDH1A1HTTLMNA
SCHEMBL13135885 0.72 MEN1 (0.46) SMN1; SMN2GAAALDH1A1HTTTP53
SCHEMBL14537561 0.70 LMNA (0.51) SMN1; SMN2GAAALDH1A1HTTLMNA
SCHEMBL13115540 0.69 CES2 (0.41) SMN1; SMN2GAAALDH1A1KMT2ANPC1
SCHEMBL22459216 0.69 CTSK (0.48) SMN1; SMN2ALDH1A1LMNAKMT2AKLK7
SCHEMBL27798933 0.68 NPC1 (0.57) SMN1; SMN2ALDH1A1KMT2AKLK7NPC1
SCHEMBL11508035 0.67 LMNA (0.55) SMN1; SMN2GAAALDH1A1HTTLMNA
SCHEMBL13115512 0.66 LMNA (0.36) SMN1; SMN2GAAALDH1A1LMNAKMT2A

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 SMN1; SMN2 2719/4885GAA 2655/4885ALDH1A1 450/4885

“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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