SCHEMBL3109953

SCHEMBL3109953

COc1cccc(-c2cc(C=O)c(C)o2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.43
CYP1A1 P04798 4/20 0.37
CYP1B1 Q16678 4/20 0.37
CYP1A2 P05177 3/20 0.37
SCN9A Q15858 1/20 0.36
NFE2L2 Q16236 2/20 0.35
MAOB P27338 2/20 0.35
CNR1 P21554 1/20 0.35
PTGES2 Q9H7Z7 1/20 0.35
APP P05067 1/20 0.35
ERN1 O75460 3/20 0.34
APLNR P35414 1/20 0.34
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
TLR6 Q9Y2C9 1/20 0.33

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
SCHEMBL3107331 0.76 BTK (0.37) BTKCYP1A1CYP1B1CYP1A2SCN9A
SCHEMBL3102052 0.75 ERN1 (0.47) CYP1A1CYP1B1CYP1A2ERN1
SCHEMBL3102009 0.71 ERN1 (0.53) ERN1
SCHEMBL3102273 0.71 PTGER4 (0.43) CYP1A2APPERN1
SCHEMBL3091522 0.71 ALDH1A1 (0.52) CYP1A1CYP1B1CYP1A2MAOBERN1
SCHEMBL19153108 0.70 HSP90AA1 (0.47) BTKPTGES2ERN1
SCHEMBL1509651 0.70 ERN1 (0.54) BTKCNR1ERN1
SCHEMBL16180241 0.70 BTK (0.55) BTKNFE2L2CNR1PTGES2APLNR
SCHEMBL22276844 0.70 BTK (0.41) BTKCYP1A2SCN9AAPLNR
SCHEMBL3155981 0.70 BTK (0.61) BTKCNR1PTGES2APLNR

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 BTK 2209/4885CYP1A1 839/4885CYP1B1 946/4885

“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.