SCHEMBL4471059

SCHEMBL4471059

CCCn1cc(CC(=O)OCC)c2ccc(O)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
EGFR P00533 2/20 0.44
CREBBP Q92793 1/20 0.42
ICMT O60725 2/20 0.41
CDC25A P30304 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
MCL1 Q07820 2/20 0.39
CNR2 P34972 1/20 0.39
LMNA P02545 2/20 0.39
NR4A1 P22736 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
AHR P35869 1/20 0.38
PKM P14618 1/20 0.38
ALOX5 P09917 1/20 0.37

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
SCHEMBL4477071 0.90 L3MBTL1 (0.46) L3MBTL1EGFRCREBBPMEN1KMT2A
SCHEMBL3688161 0.89 ICMT (0.48) EGFRICMTCDC25AGAAMCL1
SCHEMBL8416334 0.76 CDC25A (0.65) L3MBTL1CREBBPICMTCDC25AMCL1
SCHEMBL8181059 0.73 CHRNB2 (0.58) L3MBTL1CREBBPKMT2APOLBLMNA
SCHEMBL8166587 0.73 CHRNB2 (0.60) L3MBTL1CREBBPICMTMEN1KMT2A
SCHEMBL28840780 0.72 CREBBP (0.62) L3MBTL1CREBBPICMTCDC25AMCL1
SCHEMBL2085331 0.72 KDM4E (0.51) EGFRICMTMEN1KMT2AGAA
SCHEMBL9038902 0.72 CDC25A (0.56) L3MBTL1CREBBPICMTCDC25APOLB
SCHEMBL18171795 0.71 ALDH1A1 (0.66) L3MBTL1CREBBPMEN1KMT2APOLB
SCHEMBL15747713 0.71 CDC25A (0.59) EGFRCREBBPICMTCDC25AGAA

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 9 patents. 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
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators ELI LILLY AND COMPANY 2006-09-28 US disclosed
US-20060166983-A1 Indole derivatives as ppar modulators ELI LILLY AND COMPANY 2006-07-27 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
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

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-20060166983-A1 Indole derivatives as ppar modulators PPARA, PPARD, PPARG L3MBTL1 4539/4885EGFR 1260/4885CREBBP 376/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD L3MBTL1 4428/4885EGFR 1257/4885CREBBP 198/4885

“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.