SCHEMBL5597885

SCHEMBL5597885

Cn1nc(-c2ccc(Oc3ccccc3)cc2)cc1-c1ccco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNK2 Q07912 1/20 0.42
PTGS2 P35354 2/20 0.41
ABCB1 P08183 1/20 0.41
LTA4H P09960 1/20 0.40
BTK Q06187 1/20 0.39
STAT3 P40763 1/20 0.39
CXCR1 P25024 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
GSTP1 P09211 1/20 0.38
SCN4A P35499 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
PTGS1 P23219 1/20 0.38

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
SCHEMBL14458151 0.88 ABCB1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5597897 0.87 PTGS1 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5598054 0.81 ESRRA (0.52) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL5597739 0.74 BACE1 (0.46) KDM4EALDH1A1MAPTHPGDSTAT3
SCHEMBL19662081 0.74 TAAR1 (0.53) KDM4EALDH1A1HPGDHSD17B10TNK2
SCHEMBL5597792 0.73 NPC1 (0.54) KDM4EALDH1A1MAPTHPGDTNK2
SCHEMBL17943407 0.73 MAPT (0.53) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL14805206 0.72 MYC (0.59) TNK2LTA4HBTKADORA2AGSTP1
SCHEMBL11400917 0.71 HRH3 (0.54) GSTP1SCN4A
SCHEMBL2592505 0.70 TAAR1 (0.51) KDM4EALDH1A1MAPTHSD17B10PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 US disclosed
US-7119120-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2006-10-10 US disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 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 (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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 KDM4E 4292/4885ALDH1A1 3045/4885MAPT 3148/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 KDM4E 4457/4885ALDH1A1 2163/4885MAPT 3058/4885

“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.