SCHEMBL5895641

SCHEMBL5895641

O=C(CCC1CCCC1)NC(=Cc1ccc(Oc2ccccc2-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
FFAR1 O14842 2/20 0.49
FFAR4 Q5NUL3 1/20 0.41
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KLK7 P49862 1/20 0.38
KCNH2 Q12809 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL5895632 1.00 ALDH1A1 (0.51) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5895723 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5895704 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5895719 0.88 ALDH1A1 (0.44) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5895890 0.88 TDP1 (0.42) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5894961 0.88 ALDH1A1 (0.39) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5894990 0.88 HSD17B10 (0.41) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5895883 0.88 TDP1 (0.42) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5896540 0.88 NPSR1 (0.47) ALDH1A1NPSR1HTTMEN1KMT2A
SCHEMBL5894996 0.88 FFAR1 (0.49) ALDH1A1NPSR1HTTMEN1KMT2A

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 1400/4885NPSR1 3916/4885HTT 3928/4885

“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.