SCHEMBL5880787

SCHEMBL5880787

O=C(CCc1cccc(Cl)c1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
TAAR1 Q96RJ0 3/20 0.52
GLA P06280 1/20 0.52
THRB P10828 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PLAAT3 P53816 1/20 0.47
PLAAT5 Q96KN8 1/20 0.47
PLAAT2 Q9NWW9 1/20 0.47
PLAAT4 Q9UL19 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
F2 P00734 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL5880795 0.80 ALDH1A1 (0.60) EPHX2TAAR1HPGDNPC1L3MBTL1
SCHEMBL5880935 0.80 PYGL (0.49) TAAR1NPC1PLAAT3PLAAT5PLAAT2
SCHEMBL1581930 0.79 ALDH1A1 (0.39) EPHX2TAAR1GLARAB9AL3MBTL1
SCHEMBL11880887 0.79 ALDH1A1 (0.63) EPHX2TAAR1HPGDNPC1RAB9A
SCHEMBL5880941 0.78 ALDH1A1 (0.51) TAAR1ALDH1A1KMT2A
SCHEMBL3987933 0.78 CA2 (0.47) KMT2A
SCHEMBL13964066 0.77 KMT2A (0.46) ALDH1A1KMT2A
SCHEMBL14036245 0.77 ALDH1A1 (0.56) EPHX2HPGDNPC1L3MBTL1ALDH1A1
SCHEMBL5881108 0.77 GAA (0.44) NPC1RAB9AALDH1A1KDM4ESMN1; SMN2
SCHEMBL7332799 0.77 TAAR1 (0.57) TAAR1HPGDPLAAT3PLAAT5PLAAT2

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 EPHX2 3757/4885TAAR1 3724/4885GLA 2553/4885

“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.