SCHEMBL4392860

SCHEMBL4392860

CC(C)(C)OC(=O)NCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.49
IDO1 P14902 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
BRD4 O60885 1/20 0.45
BCHE P06276 1/20 0.45
CNR2 P34972 1/20 0.45
PDK2 Q15119 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
DRD2 P14416 3/20 0.44
TPSAB1 Q15661 1/20 0.44
TPSD1 Q9BZJ3 1/20 0.44
TPSG1 Q9NRR2 1/20 0.44

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
SCHEMBL14846284 0.90 POLB (0.50) MALT1LMNAPKM
SCHEMBL14833075 0.89 ADRB2 (0.44) MALT1BRD4BCHECNR2DRD2
SCHEMBL7006722 0.88 MALT1 (0.54) MALT1IDO1BRD4DRD2TPSAB1
SCHEMBL20500894 0.86 MALT1 (0.51) MALT1IDO1SMN1; SMN2BRD4PDK2
SCHEMBL25974776 0.86 MALT1 (0.52) MALT1BRD4DRD2TPSAB1TPSD1
SCHEMBL8139824 0.85 BRD4 (0.53) MALT1BRD4DRD2TPSAB1TPSD1
SCHEMBL25719625 0.84 GAA (0.58) MALT1IDO1BCHECNR2PDK2
SCHEMBL14873853 0.84 TPSAB1 (0.44) MALT1BRD4DRD2TPSAB1TPSD1
SCHEMBL31655700 0.84 TPSAB1 (0.54) MALT1BRD4DRD2TPSAB1TPSD1
SCHEMBL22291518 0.84 TPSAB1 (0.54) MALT1BRD4DRD2TPSAB1TPSD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG (CN) 2012-12-06 US disclosed
US-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG 2009-12-31 US disclosed
EP-2123283-A1 THE TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER EFFECT Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-11-25 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 (2 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-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES GLS2, GLS, VIP MALT1 29/4885IDO1 2138/4885SMN1; SMN2 3573/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 MALT1 1017/4885IDO1 3626/4885SMN1; SMN2 3372/4885

“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.