SCHEMBL3046102

SCHEMBL3046102

CCOC(=O)Cn1ccc2cc(Oc3ccc(Br)cn3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
FPR2 P25090 3/20 0.39
CHRNA7 P36544 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
JAK3 P52333 1/20 0.38
KRAS P01116 1/20 0.38
P2RX3 P56373 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
THRB P10828 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
SCHEMBL3064967 0.86 PPARD (0.49) PPARDPPARAKMT2ATHRBNTSR1
SCHEMBL4485443 0.81 NTSR1 (0.52) ALDH1A1MEN1KMT2AFPR2KRAS
SCHEMBL29138523 0.79 MTNR1A (0.56) ALDH1A1MEN1MAPTALOX15CACNA1B
SCHEMBL14711276 0.77 NTSR1 (0.45) ALDH1A1MEN1MAPTKMT2AFPR2
SCHEMBL10180678 0.76 FLT3 (0.41) ALDH1A1HSD17B10JAK2JAK3PDE4B
SCHEMBL3657279 0.75 THRB (0.41) CHRNA7THRBSCN9ANPC1RAB9A
SCHEMBL3874157 0.75 PPARD (0.42) PPARDPPARAALDH1A1MEN1MAPT
SCHEMBL4464391 0.75 PPARG (0.50) PPARDPPARAMAPTKMT2APLA2G4A
SCHEMBL9979614 0.75 MCL1 (0.51) PPARDPPARAMAPTKMT2APLA2G4A
SCHEMBL4478676 0.73 PPARD (0.56) PPARDPPARAMEN1KMT2ANPC1

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-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-10-14 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-20100261720-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF COL1A1, COL2A1, COL14A1 PPARD 1619/4885PPARA 1492/4885ALDH1A1 741/4885

“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.