SCHEMBL3089967

SCHEMBL3089967

COc1ccccc1-c1cc(C(CC(C)C)Nc2ccc(C(=O)O)cc2)c(C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.42
HPGD P15428 5/20 0.41
HSD17B10 Q99714 5/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGDS O60760 1/20 0.40
NPC1 O15118 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
CTSA P10619 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL3113572 0.91 CCNT1 (0.39) PPARDHPGDHSD17B10KDM4EHPGDS
SCHEMBL3100165 0.91 CCNT1 (0.46) HPGDHSD17B10NPC1GAAMAPT
SCHEMBL3106976 0.88 GCG (0.49) HPGDHSD17B10KDM4EALDH1A1NPC1
SCHEMBL3095469 0.87 GCG (0.37) PPARDHPGDHSD17B10KDM4EALDH1A1
SCHEMBL3107126 0.85 ALDH1A1 (0.47) HPGDHSD17B10KDM4EALDH1A1TDP1
SCHEMBL3107457 0.85 GAA (0.41) PPARDHPGDHSD17B10KDM4EALDH1A1
SCHEMBL3095683 0.82 GAA (0.41) PPARDHPGDKDM4EALDH1A1NPC1
SCHEMBL3102029 0.82 PPARD (0.45) PPARDHPGDALDH1A1NPC1GAA
SCHEMBL3110317 0.80 GCG (0.48)
SCHEMBL3099545 0.79 GCG (0.47)

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR PPARD 1129/4885HPGD 1354/4885HSD17B10 1199/4885

“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.