SCHEMBL4456825

SCHEMBL4456825

CCCc1cc(SC(F)(F)F)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
ESR1 P03372 5/20 0.40
ESR2 Q92731 5/20 0.40
HMGCR P04035 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPRZ1 P23471 2/20 0.36
PTPN1 P18031 1/20 0.36
PRKCI P41743 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
XBP1 P17861 1/20 0.35
HIF1A Q16665 1/20 0.35

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
SCHEMBL2678878 0.80 ALOX5 (0.49) ALOX5ESR1ESR2HMGCRCNR1
SCHEMBL4460397 0.75 GABRA1 (0.54) ALOX5PPARGPPARDCNR1CNR2
SCHEMBL11561560 0.75 TYR (0.45) ALOX5ESR1ESR2KDM4EALDH1A1
SCHEMBL1400639 0.74 ESR1 (0.51) ALOX5ESR1ESR2HMGCRPPARG
SCHEMBL1128300 0.73 SMN1; SMN2 (0.47) ESR1ESR2KDM4EALDH1A1TDP1
SCHEMBL27498599 0.72 ALOX5 (0.42) ALOX5ESR1ESR2HMGCRCNR1
SCHEMBL3684225 0.71 ESR1 (0.49) ALOX5ESR1ESR2HMGCRCNR1
SCHEMBL4463684 0.71 PPARG (0.50) PPARGPPARDPPARAPTPRZ1SMN1; SMN2
SCHEMBL13064734 0.71 PTPRZ1 (0.57) CNR1CNR2KDM4EALDH1A1TDP1
SCHEMBL13625815 0.71 HMGCR (0.55) ALOX5ESR1ESR2HMGCRCNR1

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-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
EP-1539136-A4 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO INC (US) 2006-10-18 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
EP-1539136-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004010936-A2 PPAR ALPHA SELECTIVE COMPOUNDS FOR THE TREATMENT OF DYSLIPIDEMIA AND OTHER LIPID DISORDERS MERCK & CO., INC. (US) 2004-02-05 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 (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 ALOX5 295/4885ESR1 925/4885ESR2 234/4885

“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.