SCHEMBL6001144

SCHEMBL6001144

O=C(c1ccccc1)c1cc2cc3ccccc3cc2o1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.75
RAB9A P51151 4/20 0.75
TSHR P16473 2/20 0.75
MAPK1 P28482 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
SMN1; SMN2 Q16637 3/20 0.58
ALDH1A1 P00352 3/20 0.58
MAPT P10636 2/20 0.58
HPGD P15428 2/20 0.58
FLT3 P36888 5/20 0.58
CLK1 P49759 2/20 0.56
DYRK1A Q13627 2/20 0.56
DYRK1B Q9Y463 2/20 0.56
STK17B O94768 1/20 0.53
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC1 Q13547 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC2 Q92769 2/20 0.52

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
SCHEMBL28327740 0.87 NPC1 (0.78) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL3263663 0.86 NPC1 (1.00) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL6239973 0.84 PIM1 (0.60) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL28327743 0.82 RAB9A (0.58) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL10412127 0.80 FLT3 (0.53) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL3379125 0.80 CLK1 (0.82) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL14994660 0.80 FLT3 (0.75) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL657637 0.79 NPC1 (0.70) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL30629241 0.79 NPC1 (0.70) NPC1RAB9ATSHRMAPK1MEN1
SCHEMBL1602739 0.79 RAB9A (0.69) NPC1RAB9ATSHRMAPK1MEN1

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
CN-110407784-A 2- sweet-smelling formacyl benzofuran derivatives or 2- sweet-smelling formacyl aphthofurans derivative and its synthetic method UNIV SHANGHAI 2019-11-05 CN disclosed
US-20060142271-A1 Novel lapacho compounds and methods of use thereof MUNSTER, UNIVERSITY OF (DE) 2006-06-29 US disclosed
EP-1551392-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2005-07-13 EP disclosed
WO-2004026253-A2 NOVEL LAPACHO COMPOUNDS AND METHODS OF USE THEREOF ARQULE, INC. (US) 2004-04-01 WO 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-20060142271-A1 Novel lapacho compounds and methods of use thereof XIAP, PIN1, NQO1 NPC1 1248/4885RAB9A 3906/4885TSHR 4796/4885

“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.