SCHEMBL4098495

SCHEMBL4098495

COc1ccc(C(=O)c2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
POLB P06746 3/20 0.50
APEX1 P27695 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 3/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MAPK1 P28482 1/20 0.45
NPC1 O15118 4/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
Trifluoroacetic Acid SCHEMBL4099604 0.87 RAB9A (0.43) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL4097609 0.83 NPC1 (0.52) RAB9APOLBNPSR1PPARGPPARD
SCHEMBL4107824 0.83 NPC1 (0.58) POLBNPSR1PPARGPPARDPPARA
SCHEMBL4097793 0.82 PPARG (0.64) POLBPPARGPPARDPPARANPC1
SCHEMBL4096710 0.81 PPARG (0.48) RAB9APOLBHPGDPPARGPPARD
SCHEMBL4107394 0.80 PPARG (0.63) POLBTDP1HPGDPPARGPPARD
SCHEMBL4092775 0.79 POLB (0.52) POLBHPGDPPARGPPARDPPARA
SCHEMBL4099611 0.79 RAB9A (0.42) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL30231989 0.79 RAB9A (0.64) RAB9APOLBAPEX1HSD17B10TDP1
SCHEMBL4099824 0.79 PPARG (0.61) POLBTDP1PPARGPPARDPPARA

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-20090054435-A1 Phenoxyalkanoic Acid Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-26 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 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-20090054435-A1 Phenoxyalkanoic Acid Compound PNLIP, GPR119, LIPC RAB9A 4163/4885POLB 4406/4885APEX1 4807/4885

“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.