SCHEMBL3106702

SCHEMBL3106702

Cc1oc(C(C)(C)C)cc1C(O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 4/20 0.35
TDO2 P48775 4/20 0.35
NPSR1 Q6W5P4 3/20 0.33
HCRTR1 O43613 1/20 0.33
DHODH Q02127 1/20 0.33
MAPT P10636 3/20 0.32
LMNA P02545 3/20 0.32
HTT P42858 2/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
TSHR P16473 2/20 0.32

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
SCHEMBL3106926 0.82 MEN1 (0.35) MEN1KMT2APOLBL3MBTL1NPSR1
SCHEMBL3089860 0.81 BRD4 (0.41) BRD4POLBIDO1TDO2DHODH
SCHEMBL3113043 0.72 ALDH1A1 (0.39) BRD4MEN1KMT2AL3MBTL1IDO1
SCHEMBL3109991 0.71 NPC1 (0.53) MEN1KMT2APOLBMAPTLMNA
SCHEMBL3109809 0.71 PDE2A (0.45) BRD4MEN1KMT2ANPSR1MAPT
SCHEMBL3095541 0.71 ALDH1A1 (0.40) BRD4MEN1KMT2AL3MBTL1IDO1
SCHEMBL3106796 0.71 NPC1 (0.40) BRD4MEN1KMT2AIDO1TDO2
SCHEMBL3109648 0.71 BRD4 (0.39) BRD4MEN1KMT2AIDO1TDO2
SCHEMBL3110155 0.71 BRD4 (0.56) BRD4IDO1TDO2NPC1RAB9A
SCHEMBL3095713 0.71 NPC1 (0.45) BRD4POLBL3MBTL1IDO1TDO2

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 BRD4 90/4885MEN1 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.