SCHEMBL716744

SCHEMBL716744

CC(=O)c1cc(OCC2CC2)ccc1O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.55
MAOA P21397 5/20 0.55
PARP10 Q53GL7 8/20 0.49
PARP15 Q460N3 7/20 0.49
PARP2 Q9UGN5 2/20 0.49
ACACB O00763 2/20 0.45
ACACA Q13085 2/20 0.45
NR1H4 Q96RI1 2/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL31536503 0.86 PARP10 (0.50) PARP10PARP15PARP2NR1H4
SCHEMBL27834128 0.85 PARP10 (0.47) MAOBMAOAPARP10PARP15PARP2
SCHEMBL18374257 0.84 PARP10 (0.56) MAOBMAOAPARP10PARP15PARP2
SCHEMBL116837 0.82 MAOB (0.52) MAOBMAOA
SCHEMBL983929 0.82 PARP10 (0.53) PARP10PARP15PARP2ACACBACACA
SCHEMBL5085580 0.81 PARP10 (0.60) MAOBMAOAPARP10PARP15
SCHEMBL3428815 0.81 PARP10 (0.49) MAOBPARP10PARP15PARP2ACACB
SCHEMBL3652542 0.79 MAOB (0.61) MAOBMAOA
SCHEMBL8651126 0.78 PARP10 (0.48) PARP10PARP15PARP2ACACBACACA
SCHEMBL3720859 0.78 PARP10 (0.46) PARP10PARP15PARP2ACACBACACA

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 2615/4885PARP10 4573/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAOB 2146/4885MAOA 2615/4885PARP10 4573/4885

“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.