SCHEMBL720361

SCHEMBL720361

Cc1c(C(=O)C(C)C)oc2ccc(O)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MCL1 Q07820 1/20 0.48
KCNH2 Q12809 3/20 0.46
GPR35 Q9HC97 1/20 0.44
KDM4E B2RXH2 3/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MAOB P27338 1/20 0.42
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B3 P37058 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL718725 0.83 RAB9A (0.54) GAAMCL1KCNH2KDM4ELMNA
SCHEMBL719276 0.83 KCNH2 (0.63) POLBKCNH2KDM4ELMNANPC1
SCHEMBL23665874 0.83 MCL1 (0.70) MCL1KCNH2KDM4EMAOBALDH1A1
SCHEMBL30933195 0.83 RAB9A (0.54) GAAMCL1KCNH2KDM4ELMNA
SCHEMBL5287590 0.82 MCL1 (0.69) GAAMCL1KCNH2GPR35KDM4E
SCHEMBL879305 0.79 KCNH2 (0.59) KCNH2LMNAHTTNPC1ALDH1A1
SCHEMBL718514 0.79 MCL1 (0.43) MCL1KCNH2KDM4ENPC1ALDH1A1
SCHEMBL23665644 0.76 POLB (0.50) POLBGAAMCL1KCNH2GPR35
SCHEMBL1474090 0.76 MEN1 (0.60) GAAKDM4EHTTNPC1ALDH1A1
SCHEMBL28217436 0.76 NPC1 (0.58) GAAMCL1KCNH2LMNAHTT

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885GAA 1254/4885MCL1 900/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP POLB 4719/4885GAA 1254/4885MCL1 900/4885

“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.