SCHEMBL2608902

SCHEMBL2608902

Cc1ccc(OCC(C)C)c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.49
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
TLR8 Q9NR97 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
XDH P47989 5/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
AAK1 Q2M2I8 4/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCC4 O15439 1/20 0.37
ABCB11 O95342 1/20 0.37
PGR P06401 1/20 0.37
CHRM1 P11229 1/20 0.37
PDE4A P27815 1/20 0.37

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
SCHEMBL7924923 0.79 KDM4E (0.49) S1PR4ALDH1A1GAATLR8NOS3
SCHEMBL14290550 0.78 S1PR4 (0.53) S1PR4ALDH1A1GAAMAPTKDM4E
SCHEMBL2487526 0.76 XDH (0.45) S1PR4XDHABCC4ABCB11PGR
SCHEMBL19686205 0.75 SCN4A (0.60) S1PR4
SCHEMBL20124609 0.74 S1PR4 (0.50) S1PR4ALDH1A1KDM4E
SCHEMBL13947096 0.74 S1PR4 (0.58) S1PR4ALDH1A1GAATLR8NOS3
SCHEMBL29444437 0.74 S1PR4 (0.50) S1PR4ALDH1A1KDM4E
SCHEMBL18875750 0.74 MEN1 (0.58) ALDH1A1MAPTKDM4EHPGD
SCHEMBL11962326 0.74 S1PR4 (0.41) S1PR4TLR8XDHMAPT
SCHEMBL23600775 0.73 S1PR4 (0.57) S1PR4ALDH1A1MAPTTHRBKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
US-7897622-B2 2-amido-5-oxo/thio-benzoic acid derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-01 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20080045516-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-21 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 (3 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-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B S1PR4 2720/4885ALDH1A1 1257/4885GAA 1818/4885
US-20080045516-A1 Viral Polymerase Inhibitors POLR2A, POLR2H, POLR2E S1PR4 2972/4885ALDH1A1 1625/4885GAA 1558/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E S1PR4 2549/4885ALDH1A1 1996/4885GAA 593/4885

“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.