SCHEMBL12125014

SCHEMBL12125014

CCN1Cc2ccccc2C[C@H]1C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 3/20 0.45
MMP9 P14780 7/20 0.44
MMP1 P03956 4/20 0.44
MMP3 P08254 3/20 0.44
ADAM17 P78536 3/20 0.44
CYP19A1 P11511 2/20 0.44
ADAM9 Q13443 2/20 0.44
CHEK1 O14757 1/20 0.43
JAK2 O60674 1/20 0.43
GLA P06280 1/20 0.43
AREG P15514 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL6369530 1.00 NR1D1 (0.45) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL14001463 0.87 NR1D1 (0.44) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL6370245 0.87 NR1D1 (0.58) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL7332043 0.86 CYP19A1 (0.42) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL10445427 0.83 GLA (0.45) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL12125023 0.83 ACE (0.53) CHEK1JAK2
SCHEMBL4239788 0.83 ACE (0.53) CHEK1JAK2
SCHEMBL10067954 0.83 ACE (0.53) CHEK1JAK2
SCHEMBL12507483 0.82 ACE (0.43) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL29177033 0.81 CHEK1 (0.47) NR1D1MMP9MMP1MMP3ADAM17

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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES HUTCHINSON ALAN J (US) 2011-11-17 US disclosed
US-7863454-B2 3-substituted-6-aryl pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-01-04 US disclosed
US-20090176980-A1 3-Substituted-6-Aryl Pyridines NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2009-07-09 US disclosed
US-7342115-B2 Binding antagonist and arylpyridine for antiinflammatory agents, cardiovascular disorders and antagonist or agonist and for immunology NEUROGEN CORPORATION (US) 2008-03-11 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-20110281837-A1 3-SUBSTITUTED-6-ARYL PYRIDINES C3AR1, C5AR1, C5AR2 NR1D1 608/4885MMP9 3101/4885MMP1 3444/4885
US-20090176980-A1 3-Substituted-6-Aryl Pyridines C3AR1, C5AR1, C5AR2 NR1D1 608/4885MMP9 3101/4885MMP1 3444/4885

“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.