SCHEMBL3102243

SCHEMBL3102243

CCc1oc(-c2ccccc2)cc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
PKM P14618 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HPGD P15428 5/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.43
PDE4A P27815 1/20 0.43
KLKB1 P03952 1/20 0.42
TNKS O95271 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
NR4A2 P43354 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA3 P34903 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL3106982 0.87 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL3106777 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL3907152 0.85 VDR (0.48) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL3102451 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL3105122 0.82 KDM4E (0.47) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL2665747 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL7123718 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL3107420 0.74 SLC6A3 (0.45) ALDH1A1KDM4EMEN1KMT2APKM
SCHEMBL30872887 0.74 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3100109 0.73 SLC6A4 (0.47) ALDH1A1KDM4EMEN1KMT2APKM

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 2280/4885MEN1 233/4885

“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.