SCHEMBL17176940

SCHEMBL17176940

CC(C)(C)OC(=O)Oc1c(C(C)(C)C)cc(CCC(=O)Nc2nc(NC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)nc(NC(=O)CCc3cc(C(C)(C)C)c(OC(=O)OC(C)(C)C)c(C(C)(C)C)c3)n2)cc1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.44
▸ KMT2A Q03164 5/20 0.41
▸ NR1H2 P55055 2/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ VCAM1 P19320 3/20 0.37
▸ LMNA P02545 3/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPT P10636 2/20 0.34

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
SCHEMBL16790544 0.87 GAA (0.48) GAAKMT2ANR1H2MEN1VCAM1
SCHEMBL18950887 0.86 GAA (0.47) GAAKMT2ANR1H2MEN1VCAM1
SCHEMBL18950793 0.83 GAA (0.53) GAAKMT2AMEN1LMNA
SCHEMBL17171725 0.82 VCAM1 (0.51) GAAKMT2AMEN1VCAM1MAPT
SCHEMBL17176997 0.82 GAA (0.52) GAAKMT2AMEN1LMNA
SCHEMBL17546523 0.82 GAA (0.43) GAAKMT2ANR1H2MEN1VCAM1
SCHEMBL19114595 0.82 VCAM1 (0.46) GAAKMT2ANR1H2VCAM1
SCHEMBL18950885 0.82 GAA (0.40) GAAKMT2AMEN1VCAM1LMNA
SCHEMBL19114979 0.81 GAA (0.43) GAAKMT2ANR1H2MEN1VCAM1
SCHEMBL17171743 0.81 VCAM1 (0.36) GAAKMT2AVCAM1

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-9777138-B2 Latent additive and composition containing latent additive ADEKA CORPORATION (JP) 2017-10-03 — — US disclosed
US-20170198117-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2017-07-13 — — US disclosed
EP-3178905-A1 ANTIOXIDANT FOR THERMOPLASTIC RESIN AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME Adeka Corporation (JP) 2017-06-14 — — EP disclosed
US-20150291772-A1 LATENT ADDITIVE AND COMPOSITION CONTAINING LATENT ADDITIVE ADEKA CORPORATION (JP) 2015-10-15 — — 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-20150291772-A1 LATENT ADDITIVE AND COMPOSITION CONTAINING LATENT ADDITIVE TCF7L2, LUC7L2, TLL2 GAA 2583/4885KMT2A 2013/4885NR1H2 121/4885

“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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