SCHEMBL3104908

SCHEMBL3104908

CCc1oc(-c2ccc(C(F)(F)F)cc2)cc1COc1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.46
AR P10275 1/20 0.45
MAOB P27338 2/20 0.44
LMNA P02545 1/20 0.43
PPARG P37231 2/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 2/20 0.41
SRD5A2 P31213 1/20 0.41
SMPD1 P17405 1/20 0.41
PTPN7 P35236 1/20 0.41
RXRA P19793 2/20 0.41
PPARA Q07869 2/20 0.41
SLC6A5 Q9Y345 1/20 0.41
ESR1 P03372 1/20 0.41
THRA P10827 1/20 0.41

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
SCHEMBL3107388 0.90 PPARD (0.58) PPARDMAOBPPARGPTGER4SRD5A2
SCHEMBL3106760 0.85 SPHK2 (0.46) PPARDPPARGPPARASLC6A5
SCHEMBL3101002 0.83 PPARD (0.43) PPARDMAOBPPARGMEN1KMT2A
SCHEMBL3101927 0.78 GCGR (0.49) PTGER4
SCHEMBL3105122 0.78 KDM4E (0.47) ARMAPTMEN1KMT2AMRGPRX4
SCHEMBL3906291 0.78 PPARD (0.59) PPARDPPARGPPARA
SCHEMBL6709526 0.75 MAOB (0.74) ARMAOBLMNAMAPTMEN1
SCHEMBL509652 0.75 MAOB (0.74) ARMAOBLMNAMAPTMEN1
SCHEMBL1746542 0.74 FFAR1 (0.51) PPARDMAOBPPARGPTGER4RXRA
SCHEMBL3907312 0.74 PPARA (0.43) PPARDPPARGRXRAPPARANR1H2

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 1129/4885AR 445/4885MAOB 1916/4885

“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.