SCHEMBL3096814

SCHEMBL3096814

CCc1cc2c(=O)c(-c3ccc(OC)cc3)c(C(=O)OC)oc2cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
MAPT P10636 5/20 0.58
HSD17B10 Q99714 5/20 0.58
MAPK1 P28482 4/20 0.58
NPSR1 Q6W5P4 4/20 0.58
LMNA P02545 2/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
KDM4E B2RXH2 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
HTT P42858 2/20 0.58
GLO1 Q04760 1/20 0.55
FPR1 P21462 3/20 0.50
CELA1 Q9UNI1 1/20 0.50
HPGD P15428 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
CA1 P00915 2/20 0.45

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
SCHEMBL3089612 0.90 ALDH1A1 (0.54) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL4396935 0.86 CELA1 (0.51) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL2947399 0.81 ALDH1A1 (0.73) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL27625643 0.78 ALDH1A1 (0.55) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL4394078 0.76 CA1 (0.48) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL2949056 0.74 ALDH1A1 (0.59) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL13169484 0.74 RAB9A (0.74) ALDH1A1MAPTHSD17B10MAPK1LMNA
SCHEMBL5267160 0.73 ALDH1A1 (0.60) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL12939236 0.72 ALDH1A1 (0.62) ALDH1A1MAPTHSD17B10MAPK1NPSR1
SCHEMBL5274407 0.72 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10MAPK1NPSR1

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-2109612-B1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2010-11-10 EP disclosed
US-7799781-B2 5,6,7,8-tetrahydropteridine derivatives as HSP90 inhibitors ASTRAZENECA AB (SE) 2010-09-21 US disclosed
EP-2109612-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS AstraZeneca AB (SE) 2009-10-21 EP disclosed
US-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-14 US disclosed
WO-2008093075-A2 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS ASTRAZENECA AB (SE) 2008-08-07 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-20080194572-A1 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS HSP90AA1, HSP90AB1, HSP90AB2P ALDH1A1 2568/4885MAPT 1023/4885HSD17B10 3391/4885

“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.