SCHEMBL2636679

SCHEMBL2636679

CCCCOc1ccc(C2(C(=O)O)CC2)cc1

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.88
MEN1 O00255 2/20 0.88
TSHR P16473 2/20 0.78
TET3 O43151 1/20 0.53
FBXL19 Q6PCT2 1/20 0.53
CXXC5 Q7LFL8 1/20 0.53
TET1 Q8NFU7 1/20 0.53
KDM2B Q8NHM5 1/20 0.53
CXXC4 Q9H2H0 1/20 0.53
KDM2A Q9Y2K7 1/20 0.53
TP53 P04637 1/20 0.51
PLA2G4B P0C869 2/20 0.50
RARB P10826 3/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4342214 0.87 KMT2A (0.68) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL7507062 0.86 KMT2A (0.71) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL10886888 0.84 MEN1 (0.68) KMT2AMEN1TSHRTP53PLA2G4B
SCHEMBL10319694 0.84 KMT2A (0.64) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL15578258 0.84 KMT2A (0.64) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL7511985 0.83 KMT2A (0.67) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL9855788 0.83 KMT2A (0.62) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL15578198 0.82 KMT2A (0.62) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL8078676 0.81 KMT2A (0.64) KMT2AMEN1TSHRTET3FBXL19
SCHEMBL11232365 0.81 KMT2A (0.73) KMT2AMEN1TSHRTET3FBXL19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 KMT2A 4317/4885MEN1 982/4885TSHR 3707/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 KMT2A 4320/4885MEN1 1308/4885TSHR 3597/4885

“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.