SCHEMBL5894879

SCHEMBL5894879

O=C(CCC1CCCC1)N/C(=C\c1ccc(C(=O)O)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5894890 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AMAPK1HTTNPSR1
SCHEMBL5896755 0.88 MIF (0.49) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5896762 0.88 MIF (0.49) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5896766 0.88 MIF (0.49) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5895723 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5895719 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5895704 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5896235 0.82 HPGD (0.41) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5896227 0.82 HPGD (0.41) ALDH1A1KMT2AHTTNPSR1MEN1
SCHEMBL5896243 0.82 HPGD (0.41) ALDH1A1KMT2AHTTNPSR1MEN1

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 ALDH1A1 1400/4885KMT2A 2664/4885MAPK1 2559/4885

“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.