SCHEMBL3113707

SCHEMBL3113707

CC(C)CC(Nc1ccc(C(=O)O)cc1)c1cc(-c2ccccc2)oc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2D6 P10635 2/20 0.36
NR1H4 Q96RI1 1/20 0.34
PDE4B Q07343 4/20 0.34
PDE4D Q08499 4/20 0.34
RXRA P19793 3/20 0.34
NR4A2 P43354 3/20 0.34
CASP3 P42574 1/20 0.34
CTSK P43235 1/20 0.34
TNKS O95271 1/20 0.34
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 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
SCHEMBL3099976 0.87 GCG (0.48) CYP2D6
SCHEMBL3099245 0.86 GCG (0.39) ALDH1A1MEN1KMT2ACYP2D6CYP3A4
SCHEMBL3107126 0.86 ALDH1A1 (0.47) KDM4EMAPK1HSD17B10ALDH1A1NPC1
SCHEMBL3102330 0.82 KDM4E (0.39) KDM4EMAPK1HSD17B10ALDH1A1NPC1
SCHEMBL3099266 0.77 ALDH1A1 (0.40) KDM4EMAPK1HSD17B10ALDH1A1NPC1
SCHEMBL3112858 0.77 NPC1 (0.46) KDM4EMAPK1HSD17B10ALDH1A1NPC1
SCHEMBL3102029 0.76 PPARD (0.45) ALDH1A1NPC1GAAMEN1KMT2A
SCHEMBL3099289 0.76 CA12 (0.33) KDM4EALDH1A1NPC1HIF1ACCR1
SCHEMBL3094101 0.76 ALDH1A1 (0.43) KDM4EMAPK1HSD17B10ALDH1A1NPC1
SCHEMBL3100060 0.75 PPARD (0.41) MAPK1NPC1GAARXRA

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 KDM4E 2280/4885MAPK1 567/4885HSD17B10 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.