SCHEMBL5880935

SCHEMBL5880935

O=C(CCc1ccc(Cl)c(Cl)c1)C1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.49
KCNH2 Q12809 1/20 0.46
PDPK1 O15530 1/20 0.46
SIGMAR1 Q99720 7/20 0.44
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 0.44
FFAR1 O14842 1/20 0.43
PNMT P11086 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
OPRK1 P41145 2/20 0.43
NPC1 O15118 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3987933 0.88 CA2 (0.47) PYGLSIGMAR1
SCHEMBL5880785 0.86 S1PR1 (0.56) KCNH2SIGMAR1FFAR1HRH3
SCHEMBL3987652 0.84 CCR5 (0.38) PYGLKCNH2NPC1CYP2C19
SCHEMBL3987889 0.83 OPRD1 (0.50) NPC1OPRD1
SCHEMBL1581377 0.82 ADRA1D (0.40) KCNH2SIGMAR1OPRK1CYP1A2CYP3A4
SCHEMBL3988482 0.80 HPGD (0.48) NPC1
SCHEMBL3988021 0.80 CSNK2A1 (0.50) FFAR1OPRD1
SCHEMBL3985175 0.80 PDE4A (0.42)
SCHEMBL5880787 0.80 EPHX2 (0.52) PLAAT3PLAAT5PLAAT2PLAAT4TAAR1
SCHEMBL3990501 0.78 FFAR4 (0.50) FFAR1NPC1NFKB1

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 3 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
WO-2003095441-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2003-11-20 WO 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 PYGL 152/4885KCNH2 3932/4885PDPK1 1886/4885

“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.