SCHEMBL3857040

SCHEMBL3857040

CCCCCc1c(-c2ccccc2)n(C)c2ccc(-c3ccc(OCC#N)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G4A P47712 1/20 0.38
HSD11B1 P28845 1/20 0.37
ICMT O60725 3/20 0.36
TBXAS1 P24557 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HK1 P19367 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
ADAM17 P78536 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL3852236 0.87 PSEN1 (0.46) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL3852015 0.85 PPARG (0.48) PPARGALDH1A1HPGDHSD17B10HSD11B1
SCHEMBL3854587 0.85 PPARG (0.48) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL3855325 0.84 GRIK2 (0.44) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL3853394 0.84 PPARG (0.67) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL4024279 0.82 PSEN1 (0.53) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL3853361 0.82 PPARG (0.56) PPARGPSEN1PSEN2APH1BNCSTN
SCHEMBL3853352 0.81 ALDH1A1 (0.49) PPARGALDH1A1HPGDHSD17B10HSD11B1
SCHEMBL3854572 0.81 PPARG (0.42) PPARGALDH1A1HPGDHSD17B10PLA2G4A
SCHEMBL3853485 0.77 MEN1 (0.43) PPARGPSEN1PSEN2APH1BNCSTN

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 PPARG 1741/4885PSEN1 2526/4885PSEN2 1065/4885

“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.