SCHEMBL3101569

SCHEMBL3101569

Cc1oc(-c2ccc(O)cc2)cc1C=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.56
ESR2 Q92731 6/20 0.56
ERN1 O75460 1/20 0.46
CSNK2A2 P19784 3/20 0.44
CSNK2B P67870 3/20 0.44
CSNK2A1 P68400 3/20 0.44
PTGES O14684 1/20 0.43
CYP3A4 P08684 5/20 0.42
HPGD P15428 4/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 4/20 0.42
IP6K2 Q9UHH9 3/20 0.42
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL3100220 0.83 NPC1 (0.55) ESR1ESR2ERN1HPGDKDM4E
SCHEMBL3102505 0.83 KDM4E (0.50) ESR1ESR2KDM4EALDH1A1MAOB
SCHEMBL3104199 0.82 DDAH1 (0.46) ERN1PTGESCYP3A4HPGDKDM4E
SCHEMBL3106747 0.81 EGFR (0.57) ERN1CYP3A4HPGDKDM4EALDH1A1
SCHEMBL3099337 0.79 ERN1 (0.44) ESR1ESR2ERN1CYP3A4HPGD
SCHEMBL3904591 0.79 CYP1A1 (0.44) ESR1ESR2CYP3A4HPGDKDM4E
SCHEMBL3094847 0.79 ERN1 (0.48) ERN1HPGDALDH1A1
SCHEMBL13964506 0.76 P2RY14 (0.41) ESR1ESR2HPGDKDM4EALDH1A1
SCHEMBL30482423 0.76 ESR1 (0.56) ESR1ESR2CSNK2A2CSNK2BCSNK2A1
SCHEMBL3108897 0.76 PIK3CD (0.35) ESR1ESR2ERN1CYP3A4ALDH1A1

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 ESR1 606/4885ESR2 649/4885ERN1 1620/4885

“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.