SCHEMBL3856331

SCHEMBL3856331

CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(O)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 4/20 0.49
ESR1 P03372 9/20 0.46
SIRT2 Q8IXJ6 1/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
ESR2 Q92731 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 1/20 0.41
PTGES2 Q9H7Z7 2/20 0.41

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
SCHEMBL3853510 0.87 PLA2G2A (0.48) PLA2G2AMAPTALDH1A1TP53HPGD
SCHEMBL3852177 0.84 PPARG (0.55) PLA2G2APPARG
SCHEMBL3853352 0.84 ALDH1A1 (0.49) ESR1MAPTKDM4EGAALMNA
SCHEMBL3853407 0.84 PLA2G2A (0.49) PLA2G2AESR1MAPTKDM4EGAA
SCHEMBL3852451 0.83 PLA2G2A (0.49) PLA2G2AKDM4ELMNAALDH1A1MEN1
SCHEMBL3858264 0.83 ESR1 (0.56) PLA2G2AESR1ESR2PTGES2PTGES
SCHEMBL3852236 0.82 PSEN1 (0.46) PLA2G2AESR1SIRT2MAPTPPARG
SCHEMBL3854992 0.82 PLA2G2A (0.48) PLA2G2AALDH1A1MEN1KMT2APPARG
SCHEMBL4024218 0.81 PLA2G2A (0.43) PLA2G2AESR1MAPTKDM4EGAA
SCHEMBL3853290 0.80 ESR1 (0.40) PLA2G2AESR1SIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1756/4885SIRT2 386/4885

“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.