SCHEMBL628122

SCHEMBL628122

O=C(O)c1ccc2c(c1-c1ccccc1)C(O)c1ccccc1O2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ATM Q13315 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LMNA P02545 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL628123 0.77 CYP2C9 (0.55) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL27892791 0.75 HNF4A (0.47) CYP2C9LMNAMEN1KMT2AMAPT
SCHEMBL8422539 0.72 WDR5 (0.43) CYP2C9ATMLMNAMAPTALDH1A1
SCHEMBL521775 0.70 MAOA (1.00) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL332581 0.70 ALDH1A1 (0.57) ATMHDAC8LMNAMAPTALDH1A1
SCHEMBL29419966 0.70 MAOA (1.00) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL4923442 0.69 MAOA (0.66) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL29901665 0.68 CYP2C9 (1.00) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL4292264 0.68 CYP2C9 (1.00) CYP2C9MAOAMAOBATMHDAC3
SCHEMBL7970204 0.68 MAOA (0.64) CYP2C9MAOAMAOBATMHDAC3

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-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

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.