SCHEMBL20128531

SCHEMBL20128531

COC(=O)/C=C\C(=O)Nc1ccc(NC(=O)/C=C\C(=O)OC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
PARP1 P09874 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP10 Q53GL7 1/20 0.45
ACHE P22303 1/20 0.45
GAA P10253 1/20 0.44
EPHX2 P34913 2/20 0.44
EPHX1 P07099 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL20128528 0.99 LMNA (0.50) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20129822 0.96 LMNA (0.50) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20129818 0.93 MAPT (0.52) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20128522 0.87 MAPT (0.58) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20128524 0.86 LMNA (0.44) LMNAMAPTALDH1A1HTTKDM4E
SCHEMBL10712879 0.83 HCAR2 (0.52) HTTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL9246773 0.83 HCAR2 (0.52) HTTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL10712880 0.83 HCAR2 (0.52) HTTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL9241943 0.83 HCAR2 (0.52) HTTSMN1; SMN2NPC1RAB9ANPSR1
SCHEMBL20128530 0.83 MAPT (0.49) LMNAMAPTALDH1A1HTTSMN1; SMN2

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 LMNA 512/4885MAPT 3342/4885ALDH1A1 1232/4885

“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.