SCHEMBL1127832

SCHEMBL1127832

CCC(C)OC(=O)C(C(=O)O)C(=O)C(Cc1cccc(OC)c1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
PPARA Q07869 2/20 0.39
DRD2 P14416 1/20 0.38
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
NR3C2 P08235 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
ITGB1 P05556 1/20 0.36
ITGA5 P08648 1/20 0.36

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
SCHEMBL1127320 0.90 TSHR (0.44) PPARAADORA2AADORA2BALDH1A1KMT2A
SCHEMBL1127319 0.89 MAPT (0.39) ALDH1A1KDM4EACECPA1KMT2A
SCHEMBL4281414 0.84 MME (0.38) ALDH1A1MMEACECPA1ACE2
SCHEMBL1127497 0.84 ALDH1A1 (0.36) DRD2ALDH1A1KDM4EMMEKMT2A
SCHEMBL1127831 0.83 KMT2A (0.45) TAAR1PPARAADORA2AADORA2BALDH1A1
SCHEMBL1127394 0.83 MME (0.39) PPARAALDH1A1MMEKMT2ATSHR
SCHEMBL1127688 0.82 TAAR1 (0.50) TAAR1PPARANR3C2KMT2A
SCHEMBL1129447 0.81 ALDH1A1 (0.39) PPARAALDH1A1KDM4EHPGDKMT2A
SCHEMBL1127442 0.80 KDM4E (0.37) ALDH1A1KDM4EKMT2ATSHRITGB1
SCHEMBL1127447 0.80 KMT2A (0.49) TAAR1ADORA2AADORA2BALDH1A1KDM4E

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
EP-2283002-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2011-02-16 EP disclosed
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed
US-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication INTERMUNE, INC. (US) 2009-10-15 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-20090257979-A1 Novel Inhibitors of Hepatitis C Virus Replication EIF2AK2, HAVCR2, HDGF TAAR1 4249/4885PPARA 3686/4885DRD2 4863/4885

“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.