SCHEMBL3112974

SCHEMBL3112974

Cc1cc(-c2ccc(C(F)(F)F)cc2)oc1C(Oc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.46
GCGR P47871 3/20 0.40
GCG P01275 2/20 0.40
TRPV1 Q8NER1 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
EPHX2 P34913 1/20 0.38
PTPN11 Q06124 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
LTA4H P09960 1/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PPARA Q07869 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL3102010 0.91 LMNA (0.39) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3095636 0.88 PPARD (0.40) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3103092 0.88 PPARD (0.41) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3095263 0.87 GCGR (0.57) GCGRGCG
SCHEMBL3106979 0.86 GCGR (0.43) PPARDGCGRGCGTRPV1PPARA
SCHEMBL3112814 0.86 PPARD (0.42) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3099931 0.85 PPARD (0.41) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3101356 0.84 PPARD (0.41) PPARDGCGRGCGTRPV1SMN1; SMN2
SCHEMBL3107042 0.82 TRPV1 (0.40) PPARDGCGRGCGTRPV1EPHX2
SCHEMBL3111621 0.80 SMN1; SMN2 (0.40) PPARDGCGRGCGSMN1; SMN2NPC1

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 1129/4885GCGR 3/4885GCG 11/4885

“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.