SCHEMBL13115502

SCHEMBL13115502

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ KMT2A Q03164 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ ATM Q13315 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ NLRP1 Q9C000 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 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
SCHEMBL13115529 0.88 HTR7 (0.38) ALDH1A1LMNACES2CES1ADRB2
SCHEMBL13115512 0.86 LMNA (0.36) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL13115504 0.78 HPGD (0.33) LMNASMN1; SMN2KMT2AHPGDHTT
SCHEMBL13115527 0.73 CTSD (0.42) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL15031304 0.73 ALDH1A1 (0.44) ALDH1A1LMNASMN1; SMN2ADRB2ADRB1
SCHEMBL13115511 0.70 SLC22A16 (0.32) —
SCHEMBL13115500 0.68 SLC22A16 (0.31) —
4-Methylbenzoic Acid SCHEMBL14715179 0.67 ALDH1A1 (0.63) ALDH1A1LMNACES2CES1SMN1; SMN2
SCHEMBL24386514 0.65 LMNA (0.53) ALDH1A1LMNASMN1; SMN2KMT2AHPGD
SCHEMBL10195595 0.65 LMNA (0.53) ALDH1A1LMNASMN1; SMN2KMT2AHPGD

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-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
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 ALDH1A1 450/4885LMNA 297/4885CES2 340/4885

“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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