SCHEMBL14769417

SCHEMBL14769417

CC(C)(C)OC(=O)NCCSCC1c2ccccc2-c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.46
IDO1 P14902 3/20 0.44
KMT2A Q03164 1/20 0.41
PDK2 Q15119 1/20 0.40
BCHE P06276 1/20 0.40
KCNA5 P22460 1/20 0.39
DRD2 P14416 1/20 0.38
KDM4A O75164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
NQO2 P16083 1/20 0.37

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
SCHEMBL29805151 0.80 KMT2A (0.42) MALT1IDO1KMT2ATDP1
SCHEMBL3637629 0.80 MALT1 (0.47) MALT1IDO1KMT2AKCNA5DRD2
SCHEMBL5557644 0.80 KMT2A (0.60) MALT1IDO1KMT2ABCHE
SCHEMBL732427 0.78 KMT2A (0.68) MALT1IDO1KMT2ATDP1TPSAB1
SCHEMBL13631378 0.78 KMT2A (0.65) MALT1IDO1KMT2ATDP1TPSAB1
SCHEMBL29625033 0.78 KMT2A (0.65) MALT1IDO1KMT2ATDP1TPSAB1
SCHEMBL22552972 0.77 KMT2A (0.41) MALT1IDO1KMT2ATDP1TPSAB1
SCHEMBL15684645 0.77 KMT2A (0.52) MALT1IDO1KMT2ATDP1
SCHEMBL31307358 0.77 KMT2A (0.51) MALT1KMT2ADRD2TDP1TPSAB1
SCHEMBL13247459 0.77 KMT2A (0.57) MALT1IDO1KMT2ABCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9428524-B2 Synthetic process for the manufacture of ecteinascidin compounds PHARMA MAR, S.A. (ES) 2016-08-30 US disclosed
US-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds PHARMA MAR, S.A. (ES) 2013-03-14 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-20130066067-A1 Synthetic Process for the Manufacture of Ecteinascidin Compounds SERPINH1, ERLIN2, PTMA MALT1 4279/4885IDO1 2891/4885KMT2A 4417/4885

“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.