SCHEMBL628123

SCHEMBL628123

O=C(O)c1ccccc1-c1cccc2c1C(O)c1ccccc1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
MYC P01106 1/20 0.43
ALOX5 P09917 1/20 0.41
ATM Q13315 1/20 0.41
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX12 P18054 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL628122 0.77 CYP2C9 (0.51) CYP2C9MAOAMAOBALOX5ATM
SCHEMBL67620 0.77 HNF4A (0.49) CYP2C9MYCALDH1A1L3MBTL1LMNA
Dimethylamine SCHEMBL28738763 0.72 HNF4A (0.44) CYP2C9MYCALDH1A1L3MBTL1LMNA
SCHEMBL4292264 0.72 CYP2C9 (1.00) CYP2C9MAOAMAOBMYCALOX5
SCHEMBL28565062 0.72 MYC (0.53) CYP2C9MYCALOX5ALDH1A1L3MBTL1
SCHEMBL7970204 0.72 MAOA (0.64) CYP2C9MAOAMAOBATMLMNA
SCHEMBL29901665 0.72 CYP2C9 (1.00) CYP2C9MAOAMAOBMYCALOX5
SCHEMBL1979794 0.70 MAOA (0.62) CYP2C9MAOAMAOBATMMAPT
SCHEMBL11728246 0.70 MAOA (0.62) CYP2C9MAOAMAOBALOX5ATM
SCHEMBL6129307 0.70 MAOA (0.62) CYP2C9MAOAMAOBATMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4221763-A1 METHODS AND COMPOSITIONS FOR INCREASING UPTAKE, INTERNALIZATION, AND/OR RETENTION OF SMALL MOLECULE LIGANDS Cornell University (US) 2023-08-09 EP disclosed
EP-4217382-A1 METHODS FOR USING COLLAGEN HYBRIDIZING PEPTIDES TO DETERMINE COLLAGEN CONTENT 3Helix, Inc. (US) 2023-08-02 EP disclosed
WO-2022072292-A1 METHODS AND COMPOSITIONS FOR INCREASING UPTAKE, INTERNALIZATION, AND/OR RETENTION OF SMALL MOLECULE LIGANDS CORNELL UNIVERSITY (US) 2022-04-07 WO disclosed
US-9260525-B2 Antibody molecules to oncogenic isoforms of fibroblast growth factor receptor-2 and uses thereof CHANG XIAO-JIA (US) 2016-02-16 US disclosed
EP-2841575-A1 ANTI-GCC ANTIBODY MOLECULES AND USE OF SAME TO TEST FOR SUSCEPTIBILITY TO GCC-TARGETED THERAPY Millennium Pharmaceuticals, Inc. (US) 2015-03-04 EP disclosed
WO-2013163633-A1 ANTI-GCC ANTIBODY MOLECULES AND USE OF SAME TO TEST FOR SUSCEPTIBILITY TO GCC-TARGETED THERAPY MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-31 WO disclosed
EP-2603521-A2 ANTIBODY MOLECULES TO ONCOGENIC ISOFORMS OF FIBROBLAST GROWTH FACTOR RECEPTOR-2 AND USES THEREOF Attogen Inc. (US) 2013-06-19 EP disclosed
US-20130142802-A1 ANTIBODY MOLECULES TO ONCOGENIC ISOFORMS OF FIBROBLAST GROWTH FACTOR RECEPTOR-2 AND USES THEREOF CHANG XIAO-JIA (US) 2013-06-06 US disclosed
WO-2012021841-A2 ANTIBODY MOLECULES TO ONCOGENIC ISOFORMS OF FIBROBLAST GROWTH FACTOR RECEPTOR-2 AND USES THEREOF ATTOGEN INC. (US) 2012-02-16 WO disclosed
US-20110059091-A1 INHIBITORS OF ONCOGENIC ISOFORMS AND USES THEREOF CHANG XIAO-JIA 2011-03-10 US disclosed
WO-2009100105-A2 INHIBITORS OF ONCOGENIC ISOFORMS AND USES THEREOF ATTOGEN INC. (US) 2009-08-13 WO disclosed
EP-0124103-B1 FLUOROMETRIC ASSAY OF CHYMOPAPAIN AND REAGENTS THEREFOR BioWhittaker, Inc. (US) 1992-07-01 EP disclosed
EP-0467782-A1 Myocardial infarction immunoassay INTERNATIONAL IMMUNOASSAY LABORATORIES, INC. (US) 1992-01-22 EP disclosed
EP-0384130-A2 Myocardial infarction immunoassay INTERNATIONAL IMMUNOASSAY LABORATORIES, INC. (US) 1990-08-29 EP disclosed
EP-0304628-A2 Immunoassay for CK-MM isoenzymes INTERNATIONAL IMMUNOASSAY LABORATORIES, INC. (US) 1989-03-01 EP 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-20130142802-A1 ANTIBODY MOLECULES TO ONCOGENIC ISOFORMS OF FIBROBLAST GROWTH FACTOR RECEPTOR-2 AND USES THEREOF FGFR2, FRS2, FGFR3 CYP2C9 4830/4885MAOA 4276/4885MAOB 4360/4885
US-20110059091-A1 INHIBITORS OF ONCOGENIC ISOFORMS AND USES THEREOF TP53, HRAS, BRCA1 CYP2C9 4831/4885MAOA 3980/4885MAOB 3873/4885

“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.