SCHEMBL4616043

SCHEMBL4616043

CCOC(=O)COc1ccc(Oc2cccc(C(=O)O)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
RAB9A P51151 1/20 0.50
AKR1C3 P42330 1/20 0.50
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.47
MRGPRX4 Q96LA9 4/20 0.47
KMO O15229 1/20 0.47
ESR1 P03372 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
PLA2G4B P0C869 1/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
CASP9 P55211 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL4615296 0.89 PPARG (0.46) POLBKMT2AHPGDESR1PPARG
SCHEMBL4614599 0.86 RAB9A (0.49) NPC1RAB9AKMT2AHPGDMRGPRX4
SCHEMBL6816376 0.83 KMT2A (0.63) KMT2AHPGDMRGPRX4PPARGKDM4E
SCHEMBL4613874 0.81 MRGPRX4 (0.65) AKR1C3MRGPRX4
SCHEMBL12093638 0.78 ALDH1A1 (0.56) CYP2C9KMT2AHPGDESR1PPARD
SCHEMBL930388 0.76 AKR1C3 (0.70) NPC1POLBCYP2C9RAB9AAKR1C3
SCHEMBL2434899 0.76 ESR1 (0.53) NPC1CYP2C9KMT2AHPGDESR1
SCHEMBL31657250 0.75 AKR1C3 (0.62) NPC1POLBCYP2C9RAB9AAKR1C3
SCHEMBL4616346 0.74 AKR1C3 (0.65) NPC1POLBCYP2C9RAB9AAKR1C3
SCHEMBL29843916 0.73 ESR1 (0.59) CYP2C9KMT2AHPGDESR1KDM4E

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 NPC1 588/4885POLB 911/4885CYP2C9 1671/4885

“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.