SCHEMBL3102333

SCHEMBL3102333

COC(=O)c1cc(-c2ccc(OC)cc2)oc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
HPGD P15428 3/20 0.62
L3MBTL1 Q9Y468 1/20 0.55
KDM4E B2RXH2 3/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
EGFR P00533 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MAPK1 P28482 1/20 0.52
PIN1 Q13526 3/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
NR4A2 P43354 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL29859324 0.87 TARBP2 (0.55) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3973924 0.86 ALDH1A1 (0.69) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL10517136 0.86 ALDH1A1 (0.64) ALDH1A1MAPTHPGDKDM4ECYP1A2
SCHEMBL3099900 0.86 SCN10A (0.54) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL1597664 0.85 RAB9A (0.50) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3091048 0.85 SLC6A4 (0.51) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3914366 0.85 NPC1 (0.70) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL2665747 0.84 ALDH1A1 (0.61) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3102220 0.84 MAPT (0.55) ALDH1A1MAPTHPGDL3MBTL1KDM4E
SCHEMBL3101093 0.81 CFTR (0.50) ALDH1A1MAPTHPGDL3MBTL1KDM4E

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 3963/4885MAPT 4877/4885HPGD 1354/4885

“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.