SCHEMBL1346196

SCHEMBL1346196

CCCn1cccc(C)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CNR2 P34972 1/20 0.43
MMP14 P50281 5/20 0.40
MMP8 P22894 4/20 0.40
MMP13 P45452 1/20 0.40
GRM2 Q14416 10/20 0.40
MMP17 Q9ULZ9 3/20 0.38
MMP2 P08253 2/20 0.37
MMP3 P08254 1/20 0.37
MMP1 P03956 1/20 0.37
TYR P14679 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 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
SCHEMBL22824347 0.89 CNR2 (0.46) PKMNPC1RAB9ACNR2MMP14
SCHEMBL10308970 0.83 PKM (0.49) PKMMMP14MMP8MMP13MMP17
SCHEMBL24597279 0.82 PKM (0.45) PKMMMP14MMP8MMP13MMP17
SCHEMBL21384021 0.82 PKM (0.49) PKMMMP14MMP8MMP13MMP17
SCHEMBL9609772 0.79 GRM2 (0.47) PKMGRM2
SCHEMBL15332913 0.79 PKM (0.43) PKMMMP14MMP8MMP13MMP17
SCHEMBL20704738 0.79 PKM (0.43) PKMNPC1RAB9AMMP14MMP8
SCHEMBL15118488 0.79 PKM (0.43) PKMCNR2MMP14MMP8MMP13
SCHEMBL12264183 0.79 HTR2C (0.45) PKMMMP14MMP8MMP13MMP17
SCHEMBL13432029 0.79 PKM (0.47) PKMCNR2MMP14MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF UNIVERSITE AMIENS PICARDIE JULES VERNE (FR) 2018-07-19 US disclosed
US-8063055-B2 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2011-11-22 US disclosed
US-20100160312-A1 Substituted Pyridone Compounds and Methods of Use AMGEN INC. (US) 2010-06-24 US disclosed
US-7700607-B2 Substituted pyridone compounds and methods of use AMGEN INC. 2010-04-20 US disclosed
US-20090182140-A1 Alicyclic Heterocyclic Compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-07-16 US disclosed
US-20080249090-A1 Substituted pyridone compounds and methods of use AMGEN INC. (US) 2008-10-09 US disclosed
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound TANABE SEIYAKU CO., LTD. (JP) 2008-04-03 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 (5 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-20090182140-A1 Alicyclic Heterocyclic Compound CCR4, CCR1, HRH4 PKM 4685/4885NPC1 2092/4885RAB9A 3905/4885
US-20100160312-A1 Substituted Pyridone Compounds and Methods of Use KIT, CMA1, C3AR1 PKM 703/4885NPC1 3253/4885RAB9A 2243/4885
US-20180201602-A1 VICINAL PRIMARY DIAMINES ASSOCIATED WITH METAL AND/OR FREE RADICAL CHELATION MOTIFS, AND ACTIVE AGAINST CARBONYL AND OXIDATIVE STRESS, AND USE THEREOF CAT, GPX1, AOC1 PKM 1656/4885NPC1 4414/4885RAB9A 1872/4885
US-20080249090-A1 Substituted pyridone compounds and methods of use KIT, CMA1, C3AR1 PKM 703/4885NPC1 3253/4885RAB9A 2243/4885
US-20080081817-A1 Nitrogenous Fused Bicyclic Compound KCNH2, KCNN2, KCNN1 PKM 1431/4885NPC1 500/4885RAB9A 660/4885

“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.