SCHEMBL7309660

SCHEMBL7309660

COc1cccc(COc2ccc3c(c2)c(CCN)cn3Cc2ccc(C(=O)O)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.51
PPARD Q03181 2/20 0.51
PPARA Q07869 2/20 0.51
PLA2G2A P14555 3/20 0.48
ALKBH1 Q13686 1/20 0.48
EGFR P00533 3/20 0.47
IGF1R P08069 3/20 0.47
FLT4 P35916 3/20 0.47
KDR P35968 3/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
CNR2 P34972 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HTR6 P50406 1/20 0.44
MAOB P27338 1/20 0.43
LTB4R Q15722 2/20 0.43
LTB4R2 Q9NPC1 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
SCHEMBL7314418 0.89 PPARD (0.61) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7318676 0.88 MAOB (0.45) PPARGPPARDPPARAEGFRIGF1R
SCHEMBL7314395 0.88 MRGPRX4 (0.57) PPARGPPARDPPARAPLA2G2AALKBH1
SCHEMBL7307437 0.87 ALKBH1 (0.49) PPARGPPARDPPARAPLA2G2AALKBH1
SCHEMBL7311769 0.84 EGFR (0.51) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7306051 0.82 PPARG (0.54) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7317891 0.82 EGFR (0.49) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7318677 0.81 EGFR (0.55) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7318188 0.80 EGFR (0.57) PPARGPPARDPPARAPLA2G2AEGFR
SCHEMBL7319796 0.79 EGFR (0.42) PPARGPPARDPPARAPLA2G2AALKBH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US disclosed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 PPARG 2889/4885PPARD 1737/4885PPARA 2327/4885

“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.