SCHEMBL5896540

SCHEMBL5896540

COc1ccccc1Oc1ccc(/C=C(\NC(=O)CCC2CCCC2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
MTNR1B P49286 1/20 0.43
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
KLK7 P49862 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
LMNA P02545 4/20 0.40
FFAR1 O14842 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL5896553 1.00 NPSR1 (0.47) NPSR1TDP1MTNR1BHPGDRAB9A
SCHEMBL5896564 1.00 NPSR1 (0.47) NPSR1TDP1MTNR1BHPGDRAB9A
SCHEMBL5897022 0.91 NPSR1 (0.42) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5897028 0.91 NPSR1 (0.42) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5897033 0.91 NPSR1 (0.42) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5894990 0.90 HSD17B10 (0.41) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5894996 0.90 FFAR1 (0.49) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5895009 0.90 FFAR1 (0.49) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5894967 0.90 HSD17B10 (0.41) NPSR1TDP1HPGDRAB9ANPC1
SCHEMBL5895016 0.90 FFAR1 (0.49) NPSR1TDP1HPGDRAB9ANPC1

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 NPSR1 3916/4885TDP1 2026/4885MTNR1B 1940/4885

“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.