SCHEMBL6995058

SCHEMBL6995058

Cn1ccc(=O)c(O)c1CO

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
KDM6A O15550 1/20 0.62
KDM4A O75164 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDM5C P41229 1/20 0.62
KDM2B Q8NHM5 1/20 0.62
DOHH Q9BU89 1/20 0.62
KDM2A Q9Y2K7 1/20 0.62
TP53 P04637 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
COMT P21964 2/20 0.41
MMP1 P03956 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
APP P05067 3/20 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
Hydrochloric Acid SCHEMBL6997040 0.98 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL4546216 0.85 KDM4E (0.58) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL869287 0.84 KDM4E (0.62) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL18117860 0.82 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10404502 0.82 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL8615538 0.82 KDM4E (0.60) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL9700190 0.79 KDM4E (0.56) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL867532 0.78 KDM4E (0.55) KDM4EKDM6AKDM4ACYP2C9CYP2C19
SCHEMBL12949554 0.78 KDM4E (0.55) KDM4EKDM6AKDM4ACYP2C9CYP2C19
Deferiprone SCHEMBL6400926 0.78 KDM4E (0.76) KDM4EKDM6AKDM4ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP claimed
US-RE35948-E TREATING TOXIC METAL CONCENTRATION BY ADMINISTERING N-SUBSTITUTED 3-HYDROXYPYRID-2-ONE OR 3-HYDROXYPYRID-4-ONE BRITISH TECHNOLOGY GROUP LTD. (GB) 1998-11-03 US claimed
US-4585780-A CHELATION OF HEAVY METALS IN BLOOD NATIONAL RESEARCH DEVELOPMENT CORP. (GB) 1986-04-29 US claimed
US-8459787-B2 Aqueous inkjet printing fluid compositions EASTMAN KODAK COMPANY (US) 2013-06-11 US disclosed
EP-0984934-B1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNAT LTD COMPANY NO 26 (GB) 2003-01-08 EP disclosed
US-6448273-B1 SUCH AS 2,6-DIMETHOXYMETHYL-1-METHYL-3-BENZYLOXPYRIDIN-4(1H)-ONE; TREATING DISORDERS ASSOCIATED WITH IRON DISTRIBUTION AND IRON DEPENDANT PARASITES; REDUCED LEVELS OF ACTIVE AGENT; SELECTIVE TARGETING TO TISSUES AND LIVER; METABOLIC STABILITY BTG INTERNATIONAL LIMITED (GB) 2002-09-10 US disclosed
US-20020068758-A1 Novel orally active iron (III) chelators BTG INTERNATIONAL LIMITED. 2002-06-06 US disclosed
EP-0984934-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (Company No. 2664412) (GB) 2000-03-15 EP disclosed
WO-1998054138-A1 NOVEL ORALLY ACTIVE IRON (III) CHELATORS BTG INTERNATIONAL LIMITED (GB) 1998-12-03 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 (1 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-20020068758-A1 Novel orally active iron (III) chelators HAMP, HRH2, GRHPR KDM4E 1012/4885KDM6A 1351/4885KDM4A 1470/4885

“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.