SCHEMBL4468837

SCHEMBL4468837

CCOC(=O)CC(=O)CCc1c(F)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 2/20 0.53
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
ALOX15 P16050 1/20 0.50
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
TSHR P16473 2/20 0.48
CNR1 P21554 1/20 0.46
TP53 P04637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
NLRP3 Q96P20 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL4331423 0.86 SMN1; SMN2 (0.56) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL29943508 0.80 KMT2A (0.60) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL5252336 0.80 KMT2A (0.60) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL3246145 0.79 KMT2A (0.53) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL11305630 0.79 NLRP3 (0.52) KMT2AMEN1ATMALDH1A1MAPT
SCHEMBL956388 0.78 CYP4F2 (0.48) KMT2AALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL18801861 0.78 CYP4F2 (0.53) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL2556229 0.78 CYP4F2 (0.53) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL4469085 0.78 KMT2A (0.52) KMT2AMEN1ATMALDH1A1TDP1
SCHEMBL956095 0.78 CYP4F2 (0.54) ALDH1A1MAPTHTTPOLBCNR1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
US-7528160-B2 Fused heterocyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-05-05 US disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
EP-1480642-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-11-26 EP disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
US-7259175-B2 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-08-21 US disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1480640-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2007-08-15 EP disclosed
US-20060084663-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY, PATENT DIVISION (US) 2006-04-20 US disclosed
EP-1581491-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
US-20050107449-A1 Peroxisome proliferator activated receptor modulators ELILILLY AND COMPANY 2005-05-19 US disclosed
EP-1480642-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
EP-1480640-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-12-01 EP disclosed
WO-2004092131-A1 INDOLE DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-10-28 WO disclosed
WO-2004063190-A1 FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2004-07-29 WO disclosed
WO-2003072102-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 WO disclosed
WO-2003072100-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2003-09-04 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-20050107449-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 4165/4885MEN1 4766/4885ATM 3015/4885
US-20060084663-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD KMT2A 1575/4885MEN1 4409/4885ATM 3235/4885

“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.