SCHEMBL940728

SCHEMBL940728

Nc1ccc(CCCOCc2ccccc2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
CDC25B P30305 1/20 0.53
CASP6 P55212 1/20 0.53
RCE1 Q9Y256 1/20 0.53
MCL1 Q07820 2/20 0.52
BCL2A1 Q16548 1/20 0.52
TDP1 Q9NUW8 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.43
FOLH1 Q04609 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
HIF1A Q16665 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
SCHEMBL12913003 0.90 TDP1 (0.45) ALDH1A1CDC25BCASP6RCE1MCL1
SCHEMBL940556 0.87 ALDH1A1 (0.57) ALDH1A1MCL1BCL2A1TDP1L3MBTL1
SCHEMBL940642 0.84 FFAR1 (0.44) ALDH1A1TDP1L3MBTL1LMNAFOLH1
SCHEMBL23908388 0.79 ALDH1A1 (0.49) ALDH1A1CDC25BMCL1FOLH1SMN1; SMN2
SCHEMBL14700255 0.78 TDP1 (0.44) TDP1L3MBTL1LMNATSHRSPHK1
SCHEMBL29167354 0.77 ALDH1A1 (0.47) ALDH1A1CDC25BMCL1FOLH1SMN1; SMN2
SCHEMBL30722451 0.77 ALDH1A1 (0.47) ALDH1A1CDC25BMCL1BCL2A1FOLH1
SCHEMBL25170829 0.77 ALDH1A1 (0.78) ALDH1A1CDC25BCASP6RCE1MCL1
SCHEMBL30291197 0.77 ALDH1A1 (0.78) ALDH1A1CDC25BCASP6RCE1MCL1
SCHEMBL23827446 0.76 ALDH1A1 (0.43) ALDH1A1MCL1BCL2A1TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776345-B1 Method of preparing N2-functionalised indazolinone derivatives UNIV ST ANDREWS (GB) 2013-02-13 EP disclosed
US-7868184-B2 Multicore indazolinone library The University of the University of St. Andrews (GB) 2011-01-11 US disclosed
US-20070179294-A1 Multicore indazolinone library THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2007-08-02 US disclosed
EP-1776345-A2 A MULTICORE INDAZOLINONE LIBRARY The University Court of the University of St. Andrews (GB) 2007-04-25 EP disclosed
WO-2005121096-A2 A MULTICORE INDAZOLINONE LIBRARY THE UNIVERSITY COURT OF THE UNIVERSITY OF ST ANDREWS (GB) 2005-12-22 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-20070179294-A1 Multicore indazolinone library IPMK, TTK, IWS1 ALDH1A1 1887/4885CDC25B 379/4885CASP6 2692/4885

“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.