SCHEMBL3852991

SCHEMBL3852991

Cc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(OCC(=O)O)cc3)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.54
ESR1 P03372 13/20 0.53
PPARG P37231 1/20 0.51
PTGES2 Q9H7Z7 3/20 0.49
PTGES O14684 1/20 0.49
GRIK2 Q13002 1/20 0.48
ESR2 Q92731 3/20 0.48
MLNR O43193 1/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
CHRM2 P08172 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD2 P14416 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL3854882 0.92 PLA2G2A (0.49) PLA2G2AESR1PPARG
SCHEMBL3852008 0.91 ESR1 (0.51) PLA2G2AESR1PTGES2PTGESGRIK2
SCHEMBL3853074 0.89 PLA2G2A (0.61) PLA2G2APPARG
SCHEMBL635012 0.89 PLA2G2A (0.56) PLA2G2AESR1PPARGESR2MLNR
SCHEMBL14327743 0.87 ESR1 (0.52) PLA2G2AESR1ESR2MLNRABCB11
SCHEMBL3852304 0.86 PLA2G2A (0.53) PLA2G2APPARG
SCHEMBL3852177 0.85 PPARG (0.55) PLA2G2APPARG
SCHEMBL3855197 0.84 GRIK2 (0.64) PLA2G2AESR1GRIK2
SCHEMBL14328324 0.83 ESR1 (0.62) ESR1ESR2MLNRABCB11NR3C1
SCHEMBL3858272 0.83 ESR1 (0.51) ESR1GRIK2ESR2MLNRABCB11

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-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US claimed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 US claimed
US-7582773-B2 Substituted phenyl indoles WYETH (US) 2009-09-01 US disclosed
US-20050070592-A1 Substituted phenyl indoles WYETH (US) 2005-03-31 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-20050070592-A1 Substituted phenyl indoles TPH2, IDO2, AANAT PLA2G2A 3821/4885ESR1 1756/4885PPARG 1741/4885

“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.