SCHEMBL3105318

SCHEMBL3105318

COCc1oc(-c2ccccc2)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
DDAH1 O94760 1/20 0.40
ERN1 O75460 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 5/20 0.38
CYP3A4 P08684 4/20 0.38
ABCG2 Q9UNQ0 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ABCB1 P08183 2/20 0.38
NPC1 O15118 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL3090890 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EERN1MAPTAR
SCHEMBL3104730 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EDDAH1MEN1KMT2A
SCHEMBL3107300 0.82 RAB9A (0.41) ALDH1A1KDM4EERN1MAPTCYP3A4
SCHEMBL3102040 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EDDAH1ERN1MEN1
SCHEMBL3102753 0.77 ERN1 (0.48) ERN1MAPTTDP1
SCHEMBL3112801 0.74 CYP3A4 (0.42) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL3104199 0.74 DDAH1 (0.46) ALDH1A1KDM4EDDAH1ERN1MEN1
SCHEMBL3106982 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL3100344 0.72 ERN1 (0.34) ALDH1A1KDM4EERN1MEN1KMT2A
SCHEMBL11762040 0.72 KDM4E (0.50) ALDH1A1KDM4EDDAH1MEN1KMT2A

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 ALDH1A1 3963/4885KDM4E 2280/4885DDAH1 1103/4885

“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.