SCHEMBL6728445

SCHEMBL6728445

CCC(OCc1ccccc1OC)Oc1ccc(I)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.40
PPARA Q07869 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
HIF1A Q16665 1/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
TTR P02766 1/20 0.37
AR P10275 1/20 0.37
CHEK1 O14757 1/20 0.37
PIM1 P11309 1/20 0.37
MAPK8 P45983 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL6719670 0.85 IDO1 (0.41) KDM4EALDH1A1IDO1
SCHEMBL6720002 0.83 IDO1 (0.39) KDM4EALDH1A1GAAIDO1
SCHEMBL6721585 0.82 IDO1 (0.38) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL6717128 0.82 SLC6A4 (0.42) ALDH1A1HPGDMEN1KMT2APARP14
SCHEMBL6721773 0.78 IDO1 (0.43) ALDH1A1GAAPARP14PARP10IDO1
SCHEMBL6728447 0.76 NPSR1 (0.50) KDM4EALDH1A1HSD17B10GAAHPGD
SCHEMBL6717622 0.74 IDO1 (0.39) KDM4EALDH1A1PARP14PARP10IDO1
SCHEMBL233846 0.72 APP (0.55) KDM4EALDH1A1HSD17B10HPGDAR
SCHEMBL6836605 0.70 KDM4E (0.56) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL554352 0.70 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214832-A1 Piperazine derivative renin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-28 US disclosed
WO-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 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-20040214832-A1 Piperazine derivative renin inhibitors REN, ACE, AGTR2 KDM4E 3296/4885ALDH1A1 1486/4885HSD17B10 1514/4885

“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.