SCHEMBL3010844

SCHEMBL3010844

Cc1cc(=O)oc2cc(C(O)P(=O)(O)O)ccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
KDM4E B2RXH2 8/20 0.55
HPGD P15428 6/20 0.55
HSD17B10 Q99714 6/20 0.55
GLA P06280 5/20 0.55
GAA P10253 5/20 0.55
CA9 Q16790 5/20 0.55
CA12 O43570 4/20 0.55
CASP1 P29466 3/20 0.55
CASP7 P55210 3/20 0.55
AKR1B1 P15121 2/20 0.55
MCL1 Q07820 2/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
UGT1A1 P22309 1/20 0.55
MAOB P27338 1/20 0.55
KDR P35968 1/20 0.55
HSD17B3 P37058 1/20 0.55
CA1 P00915 4/20 0.51

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
SCHEMBL13547678 0.79 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10GLA
Hymecromone SCHEMBL3272842 0.76 HSD17B3 (0.87) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL4386398 0.75 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL16406163 0.75 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL10710279 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL28717768 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL12386901 0.74 IGLV6-57 (0.60) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL140039 0.72 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL29391759 0.72 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GLA
SCHEMBL4610846 0.72 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10GLA

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-2522394-B1 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2016-12-28 EP disclosed
US-8513219-B2 Substituted phosphonates and their use in decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE, UNIVERSITY OF LONDON (GB) 2013-08-20 US disclosed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2010-08-12 US disclosed
EP-2152368-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES Queen Mary and Westfield College (GB) 2010-02-17 EP disclosed
US-7629379-B2 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2009-12-08 US disclosed
WO-2008135743-A1 SUBSTITUTED PHOSPHONATES AND THEIR USE IN DECREASING AMYLOID AGGREGATES QUEEN MARY AND WESTFIELD COLLEGE (GB) 2008-11-13 WO disclosed
US-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof QUEEN MARY & WESTFIELD COLLEGE (GB) 2007-03-01 US disclosed
EP-1625134-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2006-02-15 EP disclosed
WO-2004101579-A2 SUBSTITUTED PHOSPHONATE FLUORESCENT SENSORS AND USE THEREOF QUEEN MARY & WESTFIELD COLLEGE (GB) 2004-11-25 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 (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-20070049761-A1 Substituted phosphonate fluorescent sensors and use thereof NR2E3, CASR, NR3C2 ALDH1A1 4654/4885KDM4E 4496/4885HPGD 4164/4885
US-20100204183-A1 Substituted Phosphonates and Their Use In Decreasing Amyloid Aggregates PSEN2, PSEN1, APP ALDH1A1 4276/4885KDM4E 4149/4885HPGD 3668/4885

“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.