SCHEMBL5880811

SCHEMBL5880811

CCn1nnnc1SC1=C(O)CC(CCc2ccc(OC)cc2)(C2CCCC2)OC1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 10/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
GFER P55789 1/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL5880859 0.90 DCUN1D1 (0.40) ALDH1A1MAPTHPGDGFERLMNA
SCHEMBL3993895 0.88 ALDH1A1 (0.39) ALDH1A1TSHRCYP2C19MEN1KMT2A
SCHEMBL5880809 0.85 TSHR (0.35) ALDH1A1MAPTHPGDGFERHTT
SCHEMBL7147749 0.79 ALDH1A1 (0.40) L3MBTL1ALDH1A1MAPTHPGDLMNA
SCHEMBL5880793 0.77 NPC1 (0.32) ALDH1A1LMNANPC1NPSR1
SCHEMBL5880752 0.75 KMT2A (0.41) ALDH1A1HPGDCYP2C19NPC1KMT2A
SCHEMBL5880826 0.75 EDNRA (0.40) ALDH1A1HPGDHTTTSHRCYP2C19
SCHEMBL5880786 0.75 CYP3A4 (0.37) ALDH1A1MAPTHPGDHTTTSHR
SCHEMBL5880833 0.75 GAA (0.35) ALDH1A1MAPTLMNAHTTTSHR
SCHEMBL5880980 0.74 MAPT (0.38) L3MBTL1ALDH1A1MAPTHPGDLMNA

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-7115658-B2 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase AGOURON PHARMACEUTICALS, INC. (US) 2006-10-03 US disclosed
US-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2004-02-05 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-20040023958-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same POLRMT, RNGTT, RNASE1 L3MBTL1 1791/4885ALDH1A1 729/4885MAPT 2903/4885

“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.