SCHEMBL4438540

SCHEMBL4438540

OCCc1ccc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.63
NPSR1 Q6W5P4 2/20 0.63
PRMT1 Q99873 1/20 0.49
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
PKM P14618 4/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
HSD17B10 Q99714 2/20 0.42
GFER P55789 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL5860780 0.86 HIF1A (0.55) ALDH1A1NPSR1PRMT1HIF1AEPAS1
SCHEMBL13680869 0.80 PRMT1 (0.46) ALDH1A1NPSR1PRMT1HIF1AEPAS1
SCHEMBL27669360 0.78 PSEN1 (0.49) ALDH1A1NPSR1PRMT1MAPTKDM4E
SCHEMBL27769702 0.77 PRMT1 (0.44) ALDH1A1NPSR1PRMT1HIF1AEPAS1
SCHEMBL13334632 0.75 PRMT1 (0.48) ALDH1A1PRMT1HIF1AEPAS1KDM4E
SCHEMBL28078007 0.73 KIF11 (0.47) ALDH1A1NPSR1PRMT1HIF1AEPAS1
SCHEMBL19590922 0.72 PIN1 (0.43) ALDH1A1NPSR1PRMT1HIF1AEPAS1
SCHEMBL3915437 0.72 FFAR1 (0.41) PRMT1MAPTCYP1A2CYP2C19PPARG
SCHEMBL1409759 0.71 HIF1A (0.56) ALDH1A1PRMT1HIF1AEPAS1MAPT
SCHEMBL4564059 0.71 KDM4E (0.50) ALDH1A1NPSR1PRMT1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
US-8633184-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA N.V. (BE) 2014-01-21 US disclosed
CN-101479008-B PPAR-delta agonist benzazepine-oxyacetic acid derivatives for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV 2013-07-17 CN disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2010-05-13 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
US-7678786-B2 Benzoazepin-oxy-acetic acid derivatives as PPAR-delta agonists used for the increase of HDL-C, lower LDL-C and lower cholesterol JANSSEN PHARMACEUTICA NV (BE) 2010-03-16 US disclosed
CN-101479008-A Benza  -oxyacetic acid derivatives as PPAR-delta agonists for raising HDL-C, lowering LDL-C and lowering cholesterol JANSSEN PHARMACEUTICA NV (BE) 2009-07-08 CN disclosed
EP-2010289-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2009-01-07 EP disclosed
WO-2007121432-A2 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-25 WO disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 US disclosed
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL CYMABAY THERAPEUTICS, INC. 2007-10-18 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-20100120748-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA ALDH1A1 670/4885NPSR1 570/4885PRMT1 4828/4885
US-20070244094-A1 BENZOAZEPIN-OXY-ACETIC ACID DERIVATIVES AS PPAR-DELTA AGONISTS USED FOR THE INCREASE OF HDL-C, LOWER LDL-C AND LOWER CHOLESTEROL PPARD, PPARG, PPARA ALDH1A1 670/4885NPSR1 570/4885PRMT1 4828/4885

“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.