SCHEMBL3516272

SCHEMBL3516272

CCC(O)C[N+]1(NC(=O)c2ccc(OC)cc2OC)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.48
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 6/20 0.43
▸ MEN1 O00255 5/20 0.43
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PRMT5 O14744 1/20 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
SCHEMBL3516887 0.85 CTSD (0.47) TP53POLBMAPTALDH1A1GAA
SCHEMBL3519120 0.83 TP53 (0.43) TP53HDAC3HDAC1HDAC2POLB
SCHEMBL15031308 0.83 CA1 (0.44) TP53HDAC3HDAC1HDAC2MAPT
SCHEMBL13135884 0.80 MEN1 (0.42) TP53POLBMAPTTDP1ALDH1A1
SCHEMBL13115558 0.78 TP53 (0.40) TP53HDAC3HDAC1HDAC2TDP1
SCHEMBL15031355 0.75 CTSD (0.45) TP53POLBMAPTALDH1A1GAA
SCHEMBL15031305 0.71 TP53 (0.53) TP53HDAC3HDAC1HDAC2TDP1
SCHEMBL3521719 0.71 CTSD (0.43) TP53MAPTALDH1A1HPGDKMT2A
SCHEMBL13761422 0.70 TP53 (0.68) TP53HDAC3HDAC1HDAC2MAPT
SCHEMBL10793237 0.69 TP53 (0.71) TP53HDAC3HDAC1HDAC2MAPT

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 4 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-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
EP-2199313-A1 LATENT CURING AGENTS, EPOXY RESIN COMPOSITIONS CONATING THE SAME, SEALING MATERIALS, AND ORGANIC EL DISPLAYS Mitsui Chemicals, Inc. (JP) 2010-06-23 — — EP 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 TP53 3840/4885HDAC3 1865/4885HDAC1 514/4885

“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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