SCHEMBL5880700

SCHEMBL5880700

COc1ccc(Oc2cccc(CCC(=O)C3CCCC3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CAMK2A Q9UQM7 2/20 0.45
FFAR1 O14842 4/20 0.44
FFAR4 Q5NUL3 2/20 0.44
CAMK2G Q13555 1/20 0.44
FAAH O00519 1/20 0.43
DRD2 P14416 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LPAR1 Q92633 1/20 0.42

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
SCHEMBL5880941 0.91 ALDH1A1 (0.51) MTNR1AMTNR1BALDH1A1HDAC1HDAC6
SCHEMBL26637816 0.82 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2CAMK2AFFAR1
SCHEMBL5881049 0.80 FFAR1 (0.62) ALDH1A1FFAR1FFAR4
SCHEMBL5880829 0.78 FFAR1 (0.57) SMN1; SMN2FFAR1FFAR4
SCHEMBL9663109 0.75 MAPK1 (0.51) MTNR1AMTNR1BALDH1A1HDAC1HDAC6
SCHEMBL8669485 0.74 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2FFAR1NPC1
SCHEMBL5880787 0.73 EPHX2 (0.52) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL5880795 0.72 ALDH1A1 (0.60) ALDH1A1KDM4ESMN1; SMN2FFAR1NPC1
SCHEMBL3985009 0.72 POLB (0.49) MTNR1AMTNR1BALDH1A1CAMK2AFFAR1
SCHEMBL3992320 0.72 KMT2A (0.56) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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 MTNR1A 2618/4885MTNR1B 3214/4885ALDH1A1 729/4885

“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.