SCHEMBL290547

SCHEMBL290547

[c]1ccoc1-c1ccco1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 5/20 0.43
HPGD P15428 4/20 0.43
POLB P06746 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
PKM P14618 2/20 0.43
ALOX15 P16050 2/20 0.43
CASP1 P29466 2/20 0.43
PTPN7 P35236 2/20 0.43
RECQL P46063 2/20 0.43
BLM P54132 2/20 0.43
CASP7 P55210 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL297554 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL25036 0.74
SCHEMBL6829225 0.73 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL208436 0.71
SCHEMBL1799678 0.71 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL162083 0.70 TAAR1 (0.62) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL11073018 0.69 TAAR1 (0.60) ALDH1A1KDM4EHSD17B10HPGDPOLB
Hydrochloric Acid SCHEMBL8104290 0.69 TAAR1 (0.60) ALDH1A1KDM4EHSD17B10HPGDPOLB
SCHEMBL244155 0.67
SCHEMBL7404185 0.67 TAAR1 (0.64) ALDH1A1KDM4EHSD17B10HPGDPOLB

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637533-B1 Substituted thiazolopyrimidines as analgesics GRUENENTHAL GMBH (DE) 2008-08-13 EP claimed
US-20050049292-A1 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression GEMIN X PHARMACEUTICALS CANADA INC. (CA) 2005-03-03 US claimed
EP-2427186-A2 DIHYDROOROTATE-DEHYDROGENASEE INHIBITORS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2012-03-14 EP disclosed
WO-2010128050-A2 ANTI-INFLAMMATORY AGENTS AS VIROSTATIC COMPOUNDS 4SC AG (DE) 2010-11-11 WO disclosed
EP-1433781-B1 Pyrrolidine carboxylic acid derivatives MGI GP INC (US) 2010-02-24 EP disclosed
EP-2004654-A2 KINASE ANTAGONISTS The Regents of the University of California (US) 2008-12-24 EP disclosed
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US disclosed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
WO-2007114926-A2 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-11 WO disclosed
US-7144912-B2 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression GEMIN X BIOTECHNOLOGIES INC. (CA) 2006-12-05 US disclosed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP disclosed
EP-1427722-A2 PYRROLE-TYPE COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATING CANCER, TREATING VIRAL DISEASES AND CAUSING IMMUNOSUPPRESSION Gemin X Biotechnologies Inc. (CA) 2004-06-16 EP disclosed
US-6514998-B1 For controlling animal pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 2003-02-04 US disclosed
WO-2003008410-A2 POLYPYRROLES AS AGENTS FOR TREATING CANCER, TREATING VIRAL DISEASES AND CAUSING IMMUNOSUPPRESSION GEMIN X BIOTECHNOLOGIES INC. (CA) 2003-01-30 WO disclosed
EP-1259490-A2 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF Sloan Kettering Institute For Cancer Research (US) 2002-11-27 EP disclosed
WO-2001064650-A2 SYNTHESIS OF EPOTHILONES, INTERMEDIATES THERETO AND ANALOGUES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH CENTER (US) 2001-09-07 WO disclosed
US-5321000-A Benzhydryl compounds as herbicide antidotes MONSANTO COMPANY (US) 1994-06-14 US disclosed
US-5162537-A To safen acetamide herbicids used to control grassy and broadleaf weeds in rice, sorghum and wheat MONSANTO COMPANY (US) 1992-11-10 US disclosed
US-4964893-A REDUCING INJURY TO A CROP PLANT MONSANTO COMPANY (US) 1990-10-23 US disclosed
WO-1990008145-A1 ANTI-INFLAMMATORY 1-HETEROARYL-3-ACYL-2-OXINDOLES PFIZER INC. (US) 1990-07-26 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 ALDH1A1 443/4885KDM4E 993/4885HSD17B10 1677/4885
US-20050049292-A1 Pyrrole-type compounds, compositions, and methods for treating cancer, treating viral diseases and causing immunosuppression PYCR1, ZC3HAV1, POLI ALDH1A1 3328/4885KDM4E 259/4885HSD17B10 3887/4885

“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.