SCHEMBL3854572

SCHEMBL3854572

CCCCCc1c(-c2ccccc2)n(C)c2ccc(-c3ccc(OCc4nnn[nH]4)cc3)cc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.42
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 1/20 0.35
TBXAS1 P24557 1/20 0.35
PLA2G4A P47712 1/20 0.35
GRM2 Q14416 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 1/20 0.34
ICMT O60725 2/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
TACR1 P25103 2/20 0.33
PTGES O14684 1/20 0.33

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
SCHEMBL3853290 0.89 ESR1 (0.40) PLA2G4A
SCHEMBL3854513 0.86 PPARG (0.43) PPARGSMN1; SMN2GSK3BTACR1PTGES
SCHEMBL3851996 0.86 GRIK2 (0.39) PPARGALDH1A1HPGDKDM4ELMNA
SCHEMBL4021345 0.84 PSEN1 (0.36) PPARGHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL3857040 0.81 PPARG (0.46) PPARGHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL3853002 0.80 NPC1 (0.43) PPARGALDH1A1HSD17B10PLA2G4AKDM4E
SCHEMBL3852015 0.80 PPARG (0.48) PPARGHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL3853394 0.79 PPARG (0.67) PPARGTBXAS1PLA2G4A
SCHEMBL3853352 0.78 ALDH1A1 (0.49) PPARGHSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL3853361 0.76 PPARG (0.56) PPARGALDH1A1HPGDTBXAS1PLA2G4A

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 PPARG 1741/4885HSD11B1 1926/4885ALDH1A1 423/4885

“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.