SCHEMBL4616346

SCHEMBL4616346

Cc1cc(Oc2cccc(C(=O)O)c2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.65
KMO O15229 1/20 0.59
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
CYP2C9 P11712 1/20 0.55
RAB9A P51151 1/20 0.55
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
TNKS O95271 1/20 0.47
PARP15 Q460N3 1/20 0.47
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
TTR P02766 1/20 0.46

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
SCHEMBL24413594 0.85 PARP15 (0.53) AKR1C3KDM4EPOLBRAB9APARP15
SCHEMBL4616356 0.83 AKR1C3 (0.63) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL23519853 0.83 ALDH1A1 (0.47) NPC1RAB9AHSP90AA1HSP90AB1KMT2A
SCHEMBL1042631 0.83 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL30266789 0.83 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL30449599 0.83 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL30307454 0.83 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL68858 0.83 AKR1C3 (0.92) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL2867826 0.82 AKR1C3 (0.77) AKR1C3KMOKDM4ENPC1POLB
SCHEMBL4101422 0.81 LTA4H (0.54) AKR1C3NPC1RAB9AHSP90AA1KMT2A

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
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
EP-1697304-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS LILLY CO ELI (US) 2008-02-20 EP disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
US-20070082907-A1 Peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (IN) 2007-04-12 US disclosed
EP-1697304-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2006-09-06 EP disclosed
WO-2005054176-A1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-06-16 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-20070082907-A1 Peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD AKR1C3 507/4885KMO 2879/4885KDM4E 4292/4885

“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.