SCHEMBL2608129

SCHEMBL2608129

Cn1ccc(=O)c(O)c1C(O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
DOHH Q9BU89 2/20 0.57
KDM6A O15550 1/20 0.57
KDM4A O75164 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
KDM5C P41229 1/20 0.57
KDM2B Q8NHM5 1/20 0.57
KDM2A Q9Y2K7 1/20 0.57
COMT P21964 2/20 0.37
MMP1 P03956 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CRBN Q96SW2 1/20 0.32

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
SCHEMBL13555534 0.86 KDM4E (0.55) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL2115420 0.82 KDM4E (0.55) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL990103 0.82 KDM4E (0.50) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL2117161 0.80 KDM4E (0.49) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL6193484 0.79 KDM4E (0.47) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL13555530 0.78 KDM4E (0.50) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL6200147 0.78 KDM4E (0.50) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL17285306 0.77 KDM4E (0.49) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL18680421 0.77 KDM4E (0.49) KDM4EDOHHKDM6AKDM4ACYP2C9
SCHEMBL6201007 0.77 KDM4E (0.45) KDM4EDOHHKDM6AKDM4ACYP2C9

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 946/4885DOHH 174/4885KDM6A 630/4885
US-20120095061-A1 Fluorinated Derivatives of Deferiprone SLC40A1, TFRC, FECH KDM4E 946/4885DOHH 174/4885KDM6A 630/4885

“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.