SCHEMBL5896243

SCHEMBL5896243

O=C(CCC1CCCC1)NC(=Cc1ccc(OC2CCCCC2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MIF P14174 1/20 0.39
EPHX2 P34913 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5896235 1.00 HPGD (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5896227 1.00 HPGD (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895518 0.86 NPY1R (0.43) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895528 0.86 NPY1R (0.43) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895536 0.86 NPY1R (0.43) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895704 0.85 ALDH1A1 (0.44) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895719 0.85 ALDH1A1 (0.44) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895723 0.85 ALDH1A1 (0.44) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895839 0.84 KMT2A (0.41) HPGDKDM4EALDH1A1MEN1KMT2A
SCHEMBL5895827 0.84 KMT2A (0.41) HPGDKDM4EALDH1A1MEN1KMT2A

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-7041690-B2 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC (US) 2006-05-09 US disclosed
US-20060004063-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY, LLC 2006-01-05 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-20060004063-A1 Inhibitors of HCV NS5B polymerase POLRMT, EIF5B, POLI HPGD 2011/4885KDM4E 2538/4885ALDH1A1 1400/4885

“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.