SCHEMBL4460397

SCHEMBL4460397

C=CCc1cc(SC(F)(F)F)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.54
GABRB2 P47870 6/20 0.54
POLB P06746 2/20 0.47
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ALOX5 P09917 2/20 0.44
GABRB1 P18505 1/20 0.44
RXRA P19793 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
SIRT3 Q9NTG7 1/20 0.44
AKR1B1 P15121 2/20 0.43
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL9336766 0.81 GABRA1 (0.63) GABRA1GABRB2POLBGAAMAPT
SCHEMBL11240779 0.78 GABRA1 (0.59) GABRA1GABRB2POLBGAAMAPT
SCHEMBL4456825 0.75 ALOX5 (0.43) MAPTCNR1CNR2ALOX5ALDH1A1
SCHEMBL1400362 0.75 GABRA1 (0.59) GABRA1GABRB2POLBGAAMAPT
2-Allylphenol SCHEMBL29078073 0.74 GABRA1 (0.54) GABRA1GABRB2POLBGAAMAPT
SCHEMBL29463283 0.72 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL29414940 0.72 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL1055347 0.72 GABRA1 (0.56) GABRA1GABRB2POLBGAAMAPT
SCHEMBL2445931 0.72 GABRA1 (0.66) GABRA1GABRB2POLBGAAMAPT
SCHEMBL252293 0.71 GABRA1 (1.00) GABRA1GABRB2POLBGAAMAPT

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-7524882-B2 PPAR alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-04-28 US disclosed
EP-1539136-B1 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2008-07-09 EP disclosed
US-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders MERCK SHARP & DOHME CORP. 2005-10-13 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 (1 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-20050228044-A1 Ppar alpha selective compounds for the treatment of dyslipidemia and other lipid disorders PPARD, PPARA, PPARG GABRA1 500/4885GABRB2 524/4885POLB 1450/4885

“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.