SCHEMBL2606782

SCHEMBL2606782

Cc1cc(=O)c(O)c(C(C)O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
CYP1A2 P05177 2/20 0.35
GAA P10253 2/20 0.35
RNASEH1 O60930 1/20 0.35
ALDH1A1 P00352 4/20 0.34
ADORA1 P30542 2/20 0.34
CA1 P00915 1/20 0.33
HPGD P15428 5/20 0.33
LMNA P02545 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
LPO P22079 1/20 0.31
PTGS1 P23219 1/20 0.31
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA2A P29274 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL2118833 0.79 MAPT (0.36) KDM4ECYP1A2GAAALDH1A1ADORA1
SCHEMBL4543207 0.69 KEAP1 (0.43) KDM4ECYP1A2GAARNASEH1ALDH1A1
SCHEMBL19350085 0.67 ADORA1 (0.39) CYP1A2GAAADORA1
SCHEMBL12848970 0.63 L3MBTL1 (0.39) KDM4EGAACA1LMNAL3MBTL1
SCHEMBL5510028 0.63 PTGS2 (0.43) KDM4EGAAALDH1A1HPGDLMNA
SCHEMBL15569668 0.62 ALDH1A1 (0.36) KDM4ECYP1A2ALDH1A1HPGDPKM
SCHEMBL6991694 0.61 IDH1 (0.45) KDM4ECYP1A2GAARNASEH1LMNA
SCHEMBL4756043 0.60 MMP1 (0.36) KDM4ERNASEH1ALDH1A1LMNA
SCHEMBL2551804 0.60 MAPK1 (0.50) KDM4EGAAALDH1A1CA1LMNA
SCHEMBL21341793 0.58 KDM4E (0.43) KDM4ECYP1A2GAAALDH1A1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673943-B2 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. (CA) 2014-03-18 US disclosed
US-20120095061-A1 Fluorinated Derivatives of Deferiprone APOTEX TECHNOLOGIES INC. (CA) 2012-04-19 US disclosed
US-8026261-B2 neurodegenerative diseases; to remove free iron or iron accumulation in neural tissues; iron chelators; improved chemical stability, penetration through blood brain barrier; reacting 3-hydroxy-4-pyridinone/3-hydroxy-4-pyranone derivatives; 1-cyclopropyl-2-difluoromethyl-5-hydroxy-1H-pyridin-4-one APOTEX TECHNOLOGIES INC. (CA) 2011-09-27 US disclosed
US-20080242706-A1 Fluorinated derivatives of deferiprone APOTEX TECHNOLOGIES INC. 2008-10-02 US 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-20080242706-A1 Fluorinated derivatives of deferiprone SLC40A1, TFRC, FECH KDM4E 946/4885CYP1A2 1377/4885GAA 212/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH KDM4E 946/4885CYP1A2 1377/4885GAA 212/4885

“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.