SCHEMBL16744334

SCHEMBL16744334

Cc1c(OC(C)(C)C)c(=O)ccn1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
KDM4E B2RXH2 1/20 0.50
KDM6A O15550 1/20 0.50
KDM4A O75164 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM5C P41229 1/20 0.50
KDM2B Q8NHM5 1/20 0.50
DOHH Q9BU89 1/20 0.50
KDM2A Q9Y2K7 1/20 0.50
HTT P42858 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
CRBN Q96SW2 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 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
SCHEMBL15790433 0.80 CYP2C9 (0.53) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL10404153 0.78 KDM4E (0.47) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL17228664 0.76 CYP2C9 (0.48) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL15790475 0.70 KDM4E (0.61) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL10403105 0.69 KDM4E (0.46) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL9986035 0.68 KDM4E (0.41) CYP2C9KDM4EKDM6AKDM4ACYP2C19
SCHEMBL9986849 0.68 KDM4E (0.41) CYP2C9KDM4EKDM6AKDM4ACYP2C19
Deferiprone SCHEMBL20775057 0.67 KDM4E (1.00) CYP2C9KDM4EKDM6AKDM4ACYP2C19
Deferiprone SCHEMBL94474 0.67 KDM4E (1.00) CYP2C9KDM4EKDM6AKDM4ACYP2C19
Deferiprone SCHEMBL692741 0.65 KDM4E (0.96) CYP2C9KDM4EKDM6AKDM4ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS CELLIX BIO PRIVATE LTD (IN) 2015-05-28 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 (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-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS KCNH1, TNNT2, TNNC1 CYP2C9 234/4885KDM4E 4882/4885KDM6A 4773/4885

“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.