SCHEMBL3854882

SCHEMBL3854882

Cc1c(-c2ccccc2)n(Cc2ccccc2)c2cc(-c3ccc(OCC(=O)O)cc3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.49
ESR1 P03372 5/20 0.48
PPARG P37231 4/20 0.48
PPARD Q03181 2/20 0.46
PSEN1 P49768 3/20 0.44
PSEN2 P49810 3/20 0.44
APH1B Q8WW43 3/20 0.44
NCSTN Q92542 3/20 0.44
APH1A Q96BI3 3/20 0.44
PSENEN Q9NZ42 3/20 0.44
PLA2G1B P04054 2/20 0.44
ACACA Q13085 1/20 0.44
PPARA Q07869 1/20 0.44
PDE6D O43924 1/20 0.43
ADORA2B P29275 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL3852991 0.92 PLA2G2A (0.54) PLA2G2AESR1PPARG
SCHEMBL3854951 0.91 ESR1 (0.46) PLA2G2AESR1PSEN1PSEN2APH1B
SCHEMBL3853542 0.84 GRIK2 (0.56) PLA2G2AESR1MEN1KMT2A
SCHEMBL3852585 0.83 ESR1 (0.48) ESR1PSEN1PSEN2APH1BNCSTN
SCHEMBL3852008 0.82 ESR1 (0.51) PLA2G2AESR1
SCHEMBL635012 0.82 PLA2G2A (0.56) PLA2G2AESR1PPARG
SCHEMBL3854314 0.82 ESR1 (0.49) PLA2G2AESR1KMT2A
SCHEMBL14327743 0.81 ESR1 (0.52) PLA2G2AESR1
SCHEMBL3853074 0.81 PLA2G2A (0.61) PLA2G2APPARGPLA2G1BMEN1KMT2A
SCHEMBL3853093 0.80 PLA2G2A (0.49) PLA2G2AESR1PPARGPLA2G1BACACA

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.