SCHEMBL4467286

SCHEMBL4467286

O=C(O)n1c(O)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.47
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
CCR2 P41597 1/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
OXER1 Q8TDS5 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
KMT2A Q03164 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL17022686 0.83 SRC (0.53) DAOMCL1TSHRL3MBTL1NR1H2
SCHEMBL8679771 0.82 KDR (0.49) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL17022579 0.82 POLB (0.52) DAOMCL1ALDH1A1TSHRL3MBTL1
SCHEMBL27265492 0.81 KDR (0.48) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL27672222 0.80 LDHA (0.54) MCL1L3MBTL1CCR2KDM4E
SCHEMBL17022591 0.79 PDGFRB (0.50) DAOALDH1A1TSHRPDGFRBKDR
SCHEMBL17422801 0.78 DAO (0.46) DAOMCL1ALDH1A1TSHRL3MBTL1
SCHEMBL29780995 0.78 DAO (0.65) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL3638561 0.78 DAO (0.65) DAOMCL1ALDH1A1TSHRCCR2
SCHEMBL30343692 0.78 MCL1 (0.49) DAOMCL1ALDH1A1TSHROXER1

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 7 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-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-1581521-A1 FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-10-05 EP disclosed
EP-1581491-A1 INDOLE 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 DAO 1460/4885MCL1 3756/4885ALDH1A1 1181/4885
US-20060217374-A1 Fused heterocyclic derivates as ppar modulators PPARG, PPARA, PPARD DAO 1855/4885MCL1 3544/4885ALDH1A1 1182/4885

“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.