SCHEMBL3106956

SCHEMBL3106956

COc1cccc(-c2cc(C=O)c(C)o2)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.55
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
TLR6 Q9Y2C9 1/20 0.42
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
NPC1 O15118 1/20 0.37
GMNN O75496 1/20 0.37
RAF1 P04049 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL3106748 0.85 ERN1 (0.51) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3112770 0.82 ERN1 (0.45) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3104478 0.74 PDE4B (0.40) ERN1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3095434 0.74 SLC9A1 (0.36) ERN1ALDH1A1KDM4EPTGS1POLH
SCHEMBL8896 0.73 ERN1 (0.61) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL3090892 0.73 ALDH1A1 (0.44) ERN1ALDH1A1MAPTHPGDKDM4E
SCHEMBL29850639 0.72 ERN1 (0.56) ERN1TLR2TLR1TLR6ALDH1A1
SCHEMBL12766837 0.71 ERN1 (1.00) ERN1
SCHEMBL3102505 0.71 KDM4E (0.50) ALDH1A1KDM4ENPC1CYP1A2RAB9A
SCHEMBL3106825 0.71 CA12 (0.42) ERN1ALDH1A1MAPTHPGDHSD17B10

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 ERN1 1620/4885TLR2 2042/4885TLR1 2064/4885

“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.