SCHEMBL3101009

SCHEMBL3101009

COc1cc(C(=O)O)ccc1NC(CC(C)C)c1cc(-c2ccccc2)oc1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LTB4R Q15722 6/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PTGFR P43088 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PYGL P06737 3/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
LPAR1 Q92633 1/20 0.37

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
SCHEMBL3100062 0.88 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3101225 0.88 GCG (0.49) RAB9AROCK2ROCK1
SCHEMBL3106538 0.87 ROCK2 (0.41) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3106931 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AHPGDPTGFR
SCHEMBL3107126 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3106599 0.81 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3089967 0.79 PPARD (0.42) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3102029 0.78 PPARD (0.45) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3094101 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL3098753 0.76 GCG (0.51) RAB9A

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 3963/4885MEN1 233/4885KMT2A 2159/4885

“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.