SCHEMBL718528

SCHEMBL718528

Cc1c(C(O)C(C)C)oc2ccc(OCC3CC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.42
MAOA P21397 8/20 0.42
PARP15 Q460N3 1/20 0.40
PARP10 Q53GL7 1/20 0.40
ACHE P22303 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALB P02768 1/20 0.40
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL719315 0.81 L3MBTL1 (0.43) KDM4EL3MBTL1ALDH1A1POLBNPC1
SCHEMBL717029 0.80 L3MBTL1 (0.56) MAOBMAOAACHEL3MBTL1NPC1
SCHEMBL718963 0.78 KDM4E (0.53) MAOBMAOAKDM4EL3MBTL1ALDH1A1
SCHEMBL719770 0.77 ACSL1 (0.36) MAOBMAOAKDM4EL3MBTL1ALDH1A1
SCHEMBL719319 0.75 TBK1 (0.36) KDM4E
SCHEMBL719057 0.74 DGAT1 (0.42) KDM4EL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL720443 0.74 GCK (0.46) KDM4E
SCHEMBL717004 0.74 GCK (0.38) KDM4EL3MBTL1ALDH1A1POLBNPC1
SCHEMBL721152 0.74 DGAT1 (0.38) MAOBMAOAKDM4EL3MBTL1ALDH1A1
SCHEMBL718558 0.73 POLB (0.44) MAOBMAOAKDM4ECYP3A4ALDH1A1

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 MAOB 2146/4885MAOA 2615/4885PARP15 4166/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAOB 2146/4885MAOA 2615/4885PARP15 4166/4885

“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.