SCHEMBL3854575

SCHEMBL3854575

CCCCCc1c(-c2ccccc2)n(C)c2ccc(Br)cc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 1/20 0.49
PPARG P37231 2/20 0.48
TACR1 P25103 2/20 0.45
OXER1 Q8TDS5 1/20 0.44
HSD11B1 P28845 2/20 0.43
TBXAS1 P24557 1/20 0.43
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL3852451 0.83 PLA2G2A (0.49) ALDH1A1TACR1KDM4ELMNASMN1; SMN2
SCHEMBL3853352 0.81 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10PPARGTACR1
SCHEMBL3856618 0.80 PPARG (0.51) ALDH1A1HPGDHSD17B10PPARGTACR1
SCHEMBL3852015 0.80 PPARG (0.48) ALDH1A1HPGDHSD17B10PPARGHSD11B1
SCHEMBL3852371 0.78 CYP11B2 (0.47) ALDH1A1HPGDHSD17B10PPARGKDM4E
SCHEMBL12715621 0.76 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10PPARGTACR1
SCHEMBL3857040 0.75 PPARG (0.46) ALDH1A1HPGDHSD17B10PPARGHSD11B1
SCHEMBL3853394 0.75 PPARG (0.67) PPARGTBXAS1
SCHEMBL3853361 0.73 PPARG (0.56) ALDH1A1HPGDPPARGTBXAS1KDM4E
SCHEMBL28282805 0.70 CCNB2 (0.43) ALDH1A1HPGDHSD17B10PPARGTACR1

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 ALDH1A1 423/4885HPGD 1848/4885HSD17B10 2232/4885

“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.