SCHEMBL5895908

SCHEMBL5895908

COc1ccc(Oc2ccc(/C=C(/NC(=O)CCC3CCCC3)C(=O)O)cc2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
FFAR1 O14842 1/20 0.41
KLK7 P49862 2/20 0.40
HPGD P15428 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
POLB P06746 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
SCHEMBL5895919 1.00 NPSR1 (0.44) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5895900 1.00 NPSR1 (0.44) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5895506 0.91 FFAR1 (0.51) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5895486 0.91 FFAR1 (0.51) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5895496 0.91 FFAR1 (0.51) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5895672 0.89 RAB9A (0.45) NPSR1NPC1RAB9AALDH1A1KMT2A
SCHEMBL5897268 0.89 NPC1 (0.43) NPSR1NPC1RAB9AALDH1A1FFAR1
SCHEMBL5897273 0.89 NPC1 (0.43) NPSR1NPC1RAB9AALDH1A1FFAR1
SCHEMBL5897262 0.89 NPC1 (0.43) NPSR1NPC1RAB9AALDH1A1FFAR1
SCHEMBL5895658 0.89 RAB9A (0.45) NPSR1NPC1RAB9AALDH1A1KMT2A

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 3916/4885NPC1 131/4885RAB9A 1149/4885

“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.