SCHEMBL1065103

SCHEMBL1065103

O=C1OC2(c3ccc(O)cc3Oc3cc(O)c(F)c(F)c32)c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
ALOX12 P18054 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
BRCA1 P38398 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FTO Q9C0B1 10/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMAD3 P84022 2/20 0.49
HTT P42858 2/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PRMT1 Q99873 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
LMNA P02545 2/20 0.33

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
SCHEMBL4824404 0.91 HPGD (0.53) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL1608876 0.90 HPGD (0.63) HPGDALOX12ALDH1A1CYP2C9ALOX15
Hydrochloric Acid SCHEMBL25316086 0.89 HPGD (0.62) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL29469745 0.83 FTO (0.71) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL7960297 0.81 HPGD (0.58) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL7970057 0.80 HPGD (0.54) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL6637206 0.78 ALDH1A1 (0.55) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL1644389 0.78 HPGD (0.41) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL4576798 0.77 FTO (0.58) HPGDALOX12ALDH1A1CYP2C9ALOX15
SCHEMBL1608886 0.76 HPGD (0.45) HPGDALOX12ALDH1A1CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311261-B1 MEDICAMENTS FOR CHEMOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN INC (US) 2008-01-23 EP claimed
EP-1292298-B1 INTRACORPOREAL MEDICAMENTS FOR HIGH ENERGY PHOTOTHERAPEUTIC TREATMENT OF DISEASE PHOTOGEN INC (US) 2007-03-28 EP claimed
EP-1210078-A4 IMPROVED TOPICAL MEDICAMENTS AND METHODS FOR PHOTODYNAMIC TREATMENT OF DISEASE PHOTOGEN INC (US) 2004-06-09 EP claimed
EP-1284727-A1 INTRACORPOREAL MEDICAMENTS FOR PHOTODYNAMIC TREATMENT OF DISEASE Photogen, Inc. (US) 2003-02-26 EP claimed
EP-1210078-A1 IMPROVED TOPICAL MEDICAMENTS AND METHODS FOR PHOTODYNAMIC TREATMENT OF DISEASE Photogen, Inc. (US) 2002-06-05 EP claimed
WO-2001072301-A1 INTRACORPOREAL MEDICAMENTS FOR PHOTODYNAMIC TREATMENT OF DISEASE PHOTOGEN, INC. (US) 2001-10-04 WO claimed
WO-2001012181-A1 IMPROVED TOPICAL MEDICAMENTS AND METHODS FOR PHOTODYNAMIC TREATMENT OF DISEASE PHOTOGEN, INC. (US) 2001-02-22 WO claimed
WO-2017153593-A1 PH-RESPONSIVE POLY-NUCLEIC ACID COMPLEXES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2017-09-14 WO disclosed
US-8057997-B2 Nucleic acid binding compounds containing pyrazolo[3,4-D]pyrimidine analogues of purin-2,6-diamine and their uses ROCHE MOLECULAR SYSTEMS, INC. (US) 2011-11-15 US disclosed
US-20110021365-A1 Nucleic Acid Binding Compounds Containing Pyrazolo[3,4-D]Pyrimidine Analogues of Purin-2,6-Diamine and Their Uses ROCHE MOLECULAR SYSTEMS, INC. 2011-01-27 US disclosed
US-7847075-B2 2-Azapurine compounds and their use ROCHE MOLECULAR SYSTEMS, INC. (US) 2010-12-07 US disclosed
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS ROCHE DIAGNOSTICS GMBH (DE) 2010-11-18 US disclosed
US-20090306360-A1 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE MOLECULAR SYSTEMS, INC. (US) 2009-12-10 US disclosed
WO-2001072764-A1 N?8- AND C8¿-LINKED PURINE BASES AND STRUCTURALLY RELATED HETEROCYCLES AS UNIVERSAL NUCLEOSIDES USED FOR OLIGONUCLEOTIDE HYBRIDIZATION F. HOFFMANN-LA ROCHE AG (CH) 2001-10-04 WO disclosed
WO-2001072301-A1 INTRACORPOREAL MEDICAMENTS FOR PHOTODYNAMIC TREATMENT OF DISEASE PHOTOGEN, INC. (US) 2001-10-04 WO disclosed
US-6251615-B1 Cell analysis methods CELL ANALYTICS, INC. 2001-06-26 US disclosed
WO-2001016149-A2 2-AZAPURINE COMPOUNDS AND THEIR USE ROCHE DIAGNOSTICS GMBH (DE) 2001-03-08 WO disclosed
EP-1057004-A1 CELL ANALYSIS METHODS AND APPARATUS Sanguinex (US) 2000-12-06 EP disclosed
WO-1999042809-A9 CELL ANALYSIS METHODS AND APPARATUS SANGUINEX (US) 1999-11-04 WO disclosed
WO-1999042809-A1 CELL ANALYSIS METHODS AND APPARATUS SANGUINEX (US) 1999-08-26 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-20090306360-A1 2-AZAPURINE COMPOUNDS AND THEIR USE ADAR, AMPD2, NSUN2 HPGD 3024/4885ALOX12 3714/4885ALDH1A1 2276/4885
US-20100290992-A1 NANOPARTICLE NUCLEIC ACID BINDING COMPOUND CONJUGATES FORMING I-MOTIFS POLM, IGF2BP1, POLRMT HPGD 4341/4885ALOX12 4630/4885ALDH1A1 1225/4885

“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.