SCHEMBL3107331

SCHEMBL3107331

COc1cccc(-c2cc(CO)c(C)o2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
CNR1 P21554 1/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP1B1 Q16678 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PTGES O14684 2/20 0.33
KDR P35968 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
APLNR P35414 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL3095389 0.80 MAOB (0.39) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL3109953 0.76 BTK (0.43) BTKCNR1CYP1A1CYP1A2CYP1B1
SCHEMBL3110599 0.72 PTGER4 (0.50) MEN1KMT2AKDM4EALDH1A1RAB9A
SCHEMBL3107026 0.72 HDAC6 (0.46)
SCHEMBL3107721 0.71 ALDH1A1 (0.48) CYP1A1CYP1A2CYP1B1MEN1KMT2A
SCHEMBL3110181 0.70 ALDH1A1 (0.49) CYP1A1CYP1A2CYP1B1PDCD1CD274
SCHEMBL3107819 0.70 APLNR (0.40) APLNRIDH1SCN9A
SCHEMBL3106623 0.69 P2RX7 (0.30) APLNR
SCHEMBL3112745 0.69 EGFR (0.51) MEN1KMT2AMAOBKDM4EALDH1A1
SCHEMBL22276844 0.69 BTK (0.41) BTKTGFBR2CYP1A2KDRMEN1

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 2209/4885TGFBR1 546/4885TGFBR2 1025/4885

“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.