SCHEMBL6892551

SCHEMBL6892551

O=C(O)c1c2c(nc3ccccc13)CCC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 11/20 0.72
ALDH1A1 P00352 8/20 0.72
KDM4E B2RXH2 8/20 0.72
MAPT P10636 2/20 0.72
HPGD P15428 1/20 0.72
L3MBTL1 Q9Y468 8/20 0.65
RECQL P46063 3/20 0.65
TDP1 Q9NUW8 2/20 0.65
CASP6 P55212 1/20 0.65
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
PKM P14618 1/20 0.62
MAPK1 P28482 2/20 0.60
TSHR P16473 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
MCL1 Q07820 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.60
TP53 P04637 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL30861636 1.00 POLB (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL2363298 0.97 ALDH1A1 (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL30861620 0.95 ALDH1A1 (0.70) POLBALDH1A1KDM4EMAPTHPGD
Water SCHEMBL3871916 0.95 ALDH1A1 (0.70) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL12850775 0.88 POLB (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL22208005 0.84 ALDH1A1 (0.68) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL9634628 0.84 ALDH1A1 (0.68) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL11837932 0.83 POLB (0.52) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL11842866 0.83 POLB (0.52) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL22224161 0.78 ALDH1A1 (0.64) POLBALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 WO disclosed
US-9447047-B2 Inhibitors of protein phosphatase-1 and uses thereof HOWARD UNIVERSITY (US) 2016-09-20 US disclosed
US-20160024013-A1 Inhibitors of Protein Phosphatase-1 and Uses Thereof HOWARD UNIVERSITY 2016-01-28 US disclosed
US-8278326-B2 Inhibitors of protein phosphatase-1 and uses thereof HOWARD UNIVERSITY (US) 2012-10-02 US disclosed
US-20090264463-A1 Inhibitors Of Protein Phosphatase-1 And Uses Thereof HOWARD UNIVERSITY 2009-10-22 US disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 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 (3 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-20160024013-A1 Inhibitors of Protein Phosphatase-1 and Uses Thereof PPM1F, PPM1A, PPM1G POLB 2089/4885ALDH1A1 3129/4885KDM4E 2960/4885
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 POLB 2253/4885ALDH1A1 3756/4885KDM4E 2696/4885
US-20090264463-A1 Inhibitors Of Protein Phosphatase-1 And Uses Thereof PPM1A, PPP1R15A, PPM1F POLB 1368/4885ALDH1A1 3090/4885KDM4E 2024/4885

“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.