SCHEMBL4110229

SCHEMBL4110229

COc1ccc(C(=O)c2ccc(OCc3ccc(Br)cc3F)cc2)c(OC(C)(C)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.47
NPC1 O15118 1/20 0.44
PPARG P37231 3/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 2/20 0.42
MAOB P27338 1/20 0.42
POLB P06746 1/20 0.41
PTGES O14684 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40

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 SCHEMBL4109083 0.87 MTNR1B (0.41) MTNR1BNPC1PPARGPPARDPPARA
SCHEMBL4103391 0.83 NPC1 (0.44) NPC1PPARGPPARDPPARAMAOB
SCHEMBL4102590 0.81 NR4A2 (0.55) NPC1PPARGPPARAPOLBALDH1A1
SCHEMBL4107394 0.80 PPARG (0.63) NPC1PPARGPPARDPPARAMAOB
SCHEMBL4109088 0.79 MTNR1B (0.40) MTNR1BNPC1MAOBPOLBALDH1A1
SCHEMBL4107824 0.79 NPC1 (0.58) NPC1PPARGPPARDPPARAPOLB
SCHEMBL4104126 0.78 PPARG (0.53) NPC1PPARGPPARDPPARAMAOB
SCHEMBL4108605 0.78 PPARG (0.51) NPC1PPARGPPARDPPARAPOLB
SCHEMBL4098899 0.78 PPARG (0.54) NPC1PPARGPPARDPPARAPOLB
SCHEMBL4097609 0.77 NPC1 (0.52) NPC1PPARGPPARDPPARAPOLB

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 MTNR1B 709/4885NPC1 170/4885PPARG 23/4885

“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.