SCHEMBL10276699

SCHEMBL10276699

COc1ccc(C(NCCC(=O)O)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.46
TDP1 Q9NUW8 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
PDE4B Q07343 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
APEX1 P27695 1/20 0.43
MAPK1 P28482 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLAAT3 P53816 1/20 0.43
PLAAT5 Q96KN8 1/20 0.43
PLAAT2 Q9NWW9 1/20 0.43
PLAAT4 Q9UL19 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 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
SCHEMBL6304679 0.89 NPC1 (0.47) KIF11NPC1RAB9APDE4BALDH1A1
SCHEMBL6854133 0.89 KIF11 (0.47) KIF11TDP1NPC1RAB9AALDH1A1
SCHEMBL6750471 0.89 KIF11 (0.47) KIF11TDP1NPC1RAB9AALDH1A1
SCHEMBL6476023 0.87 KIF11 (0.43) KIF11TDP1NPC1RAB9AALDH1A1
SCHEMBL14356107 0.86 KIF11 (0.49) KIF11TDP1NPC1RAB9AALDH1A1
SCHEMBL30610089 0.86 KIF11 (0.49) KIF11TDP1NPC1RAB9AALDH1A1
SCHEMBL4211757 0.86 KIF11 (0.57) KIF11ALDH1A1MAPK1HSD17B10SMN1; SMN2
SCHEMBL4363002 0.84 KIF11 (0.49) KIF11ALDH1A1HTTLMNAMAPK1
SCHEMBL12225852 0.84 KIF11 (0.49) KIF11ALDH1A1HTTLMNAMAPK1
SCHEMBL29562983 0.83 KIF11 (0.47) KIF11NPC1RAB9AALDH1A1HTT

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-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 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-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF CPSF1, CPSF7, CPSF6 KIF11 2562/4885TDP1 865/4885NPC1 3436/4885

“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.