SCHEMBL16787724

SCHEMBL16787724

CC(=O)C[C@@H]1CCC[C@@H](Oc2ccc(Br)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.42
FURIN P09958 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DGAT1 O75907 1/20 0.40
EPHX2 P34913 3/20 0.39
ACACB O00763 7/20 0.38
FFAR4 Q5NUL3 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACACA Q13085 1/20 0.36

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
SCHEMBL16661319 0.82 MIF (0.38) PARP10FURINNPC1RAB9AKMT2A
SCHEMBL16787728 0.78 CA1 (0.39) PARP10FURINDGAT1ACACBACACA
SCHEMBL2654775 0.76 NPC1 (0.43) NPC1RAB9AKMT2A
SCHEMBL22578255 0.74 PARP10 (0.46) PARP10FURINKMT2AEPHX2FFAR4
SCHEMBL22463663 0.74 PARP10 (0.46) PARP10FURINKMT2AEPHX2FFAR4
SCHEMBL22578254 0.74 PARP10 (0.46) PARP10FURINKMT2AEPHX2FFAR4
SCHEMBL13168283 0.74 PARP10 (0.38) PARP10NPC1RAB9AACACBFFAR1
SCHEMBL9966865 0.74 PARP10 (0.53) PARP10FURINEPHX2ACACBALDH1A1
SCHEMBL22815566 0.72 EPHX2 (0.41) FURINEPHX2ALDH1A1
Hydrochloric Acid SCHEMBL30522774 0.72 PARP10 (0.52) PARP10FURINEPHX2ACACBALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-23 US disclosed
US-9546155-B2 Aromatic heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-17 US disclosed
US-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-11 US 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-20150158844-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 PARP10 3877/4885FURIN 2223/4885NPC1 796/4885
US-20170050950-A1 AROMATIC HETEROCYCLIC COMPOUND GPR119, NR0B1, BET1 PARP10 3877/4885FURIN 2223/4885NPC1 796/4885

“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.