SCHEMBL20129398

SCHEMBL20129398

COC(=O)/C=C\C(=O)Nc1cccc2c(NC(=O)/C=C\C(=O)OC)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.52
▸ PARP15 Q460N3 1/20 0.52
▸ PARP14 Q460N5 1/20 0.52
▸ PARP10 Q53GL7 1/20 0.52
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPT P10636 6/20 0.51
▸ LMNA P02545 6/20 0.51
▸ HTT P42858 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ HPGD P15428 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CACNA1B Q00975 1/20 0.50
▸ APBA1 Q02410 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50

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
SCHEMBL27404179 0.92 LMNA (0.49) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL29331111 0.92 MAPT (0.51) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL20129403 0.81 LMNA (0.42) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL11646431 0.80 LPAR2 (0.71) ALDH1A1MAPTLMNAHTTKDM4E
SCHEMBL20129342 0.79 MAPT (0.50) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL29331161 0.76 LMNA (0.49) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL2560215 0.76 ALDH1A1 (0.49) ALDH1A1MAPTLMNAGAAKDM4E
SCHEMBL20129482 0.76 ALDH1A1 (0.66) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL20129016 0.76 ALDH1A1 (0.66) PARP1PARP15PARP14PARP10ALDH1A1
SCHEMBL20129844 0.76 ALDH1A1 (0.66) PARP1PARP15PARP14PARP10ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180126784-A1 RUBBER COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-05-10 — — 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-20180126784-A1 RUBBER COMPOSITION RER1, KPNB1, KPNA1 PARP1 1617/4885PARP15 1974/4885PARP14 1639/4885

“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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