SCHEMBL3101111

SCHEMBL3101111

O=C(O)c1ccc(OCc2cc(-c3ccc(C(F)(F)F)cc3)oc2C2CCCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 5/20 0.48
SRD5A2 P31213 1/20 0.48
NR4A2 P43354 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NR1H4 Q96RI1 2/20 0.42
HSD17B13 Q7Z5P4 1/20 0.42
PTGER4 P35408 1/20 0.41
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
PPARA Q07869 3/20 0.41
RXRA P19793 1/20 0.41
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
FFAR4 Q5NUL3 2/20 0.40
MAOB P27338 2/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL13093836 0.88 GCGR (0.47) PPARDGCGRGIPRFFAR4FFAR1
SCHEMBL3113036 0.86 PPARD (0.40) PPARDGCGRPPARARXRANR1H2
SCHEMBL3090570 0.80 GCGR (0.56) GCGRGIPRCYP3A4
SCHEMBL3095207 0.79 PPARD (0.38) PPARDSRD5A2NR1H4PTGER4GCGR
SCHEMBL3106831 0.79 NR1H4 (0.40) PPARDSRD5A2NR1H4PTGER4GCGR
SCHEMBL3107388 0.79 PPARD (0.58) PPARDSRD5A2NR4A2MRGPRX4PTGER4
SCHEMBL3110083 0.78 TRPV1 (0.40) CYP3A4CYP2D6PTGDR2FFAR1
SCHEMBL3112974 0.72 PPARD (0.46) PPARDGCGRPPARARXRA
SCHEMBL3098853 0.71 MAOA (0.41) MRGPRX4CYP2D6PTGDR2MAOB
SCHEMBL3095636 0.70 PPARD (0.40) PPARDGCGRRXRASLC6A5

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 1129/4885SRD5A2 607/4885NR4A2 421/4885

“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.