SCHEMBL5385591

SCHEMBL5385591

C=C(COc1ccc(Oc2ccccc2)cc1)COc1ccc([C@](C)(OC)C(=O)OCC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 4/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
LTA4H P09960 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5380201 0.88 PPARA (0.48) SMN1; SMN2RAB9ANPC1CYP2C9CYP1A2
SCHEMBL28421404 0.79 PIN1 (0.50) SMN1; SMN2CYP1A2CYP2C19PPARAMEN1
SCHEMBL5375531 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ACYP2C9CYP1A2CYP2C19
SCHEMBL7756146 0.76 NPC1 (0.49) SMN1; SMN2RAB9ANPC1HPGDCRHBP
SCHEMBL9475755 0.76 NPC1 (0.51) SMN1; SMN2RAB9ANPC1HPGDCRHBP
SCHEMBL7756224 0.74 NPC1 (0.52) SMN1; SMN2RAB9ANPC1HPGDCRHBP
SCHEMBL7759387 0.74 NPC1 (0.47) SMN1; SMN2RAB9ANPC1HPGDCRHBP
SCHEMBL5385600 0.74 PPARA (0.59) SMN1; SMN2PPARDPPARAPPARG
SCHEMBL21501175 0.72 NPC1 (0.52) SMN1; SMN2RAB9ANPC1HPGDCRHBP
SCHEMBL28499595 0.71 KDM4E (0.56) SMN1; SMN2RAB9ANPC1HPGDMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
US-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 US disclosed
US-20050020684-A1 Modulators of peroxisome proliferator activated receptors ELI LILLY AND COMPANY 2005-01-27 US disclosed
EP-1392637-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002100813-A2 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS ELI LILLY AND COMPANY (US) 2002-12-19 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-20050020684-A1 Modulators of peroxisome proliferator activated receptors NCOA4, PPARG, PPARA SMN1; SMN2 4742/4885RAB9A 3987/4885NPC1 1429/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA SMN1; SMN2 4782/4885RAB9A 3865/4885NPC1 1791/4885

“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.