SCHEMBL5597897

SCHEMBL5597897

COc1ccc(-c2cc(-c3ccco3)n(C)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
ALDH1A1 P00352 5/20 0.47
HPGD P15428 5/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
PTPN7 P35236 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
MCL1 Q07820 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIRT1 Q96EB6 1/20 0.46
ADORA2A P29274 1/20 0.46

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
SCHEMBL5597885 0.87 KDM4E (0.42) PTGS1PTGS2ALDH1A1HPGDKDM4E
SCHEMBL14458151 0.84 ABCB1 (0.50) PTGS1ALDH1A1HPGDRAB9AKDM4E
SCHEMBL5598054 0.83 ESRRA (0.52) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL6693299 0.81 ATM (0.55) PTGS1PTGS2ALDH1A1HPGDRAB9A
SCHEMBL3685934 0.74 TAAR1 (0.55) PTGS1PTGS2ALDH1A1HPGDRAB9A
SCHEMBL5597964 0.73 RAB9A (0.67) PTGS1PTGS2ALDH1A1HPGDRAB9A
SCHEMBL5598135 0.73 STAT3 (0.47) PTGS1PTGS2ALDH1A1HPGDRAB9A
SCHEMBL2592505 0.72 TAAR1 (0.51) PTGS1PTGS2ALDH1A1KDM4EMAPT
SCHEMBL17943407 0.72 MAPT (0.53) ALDH1A1HPGDRAB9AKDM4EMAPT
SCHEMBL20239626 0.71 TDP1 (0.48) RAB9AMAPTKMT2AMEN1POLB

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 11 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
EP-1465638-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2004-10-13 EP disclosed
EP-1436307-A1 ANTISENSE MODULATION OF NAC EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2004-07-14 EP disclosed
US-20040019113-A1 Phosphate transport inhibitors GELTEX PHARMACEUTICALS, INC. 2004-01-29 US disclosed
WO-2003057225-A2 PHOSPHATE TRANSPORT INHIBITORS GENZYME CORPORATION (US) 2003-07-17 WO disclosed
WO-2003024988-A1 ANTISENSE MODULATION OF NAC EXPRESSION ISIS PHARMACEUTICALS, INC. (US) 2003-03-27 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-20040019113-A1 Phosphate transport inhibitors SLC34A1, SLC34A2, SLC20A1 PTGS1 2103/4885PTGS2 3094/4885ALDH1A1 3045/4885
US-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 PTGS1 1552/4885PTGS2 2464/4885ALDH1A1 2163/4885

“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.