SCHEMBL5380201

SCHEMBL5380201

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
PPARG P37231 3/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
RAB9A P51151 3/20 0.43
GAA P10253 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PPARD Q03181 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL5375531 0.90 SMN1; SMN2 (0.50) PPARASMN1; SMN2PPARGCYP2C19CYP1A2
SCHEMBL5385591 0.88 SMN1; SMN2 (0.47) PPARASMN1; SMN2PPARGCYP2C19CYP1A2
SCHEMBL5385890 0.76 PPARA (0.50) PPARAPPARGPPARD
SCHEMBL5386120 0.75 PTGS1 (0.55) SMN1; SMN2CYP2C19CYP1A2CYP2C9RAB9A
SCHEMBL22722985 0.73 KCNN4 (0.50) PPARAPPARGCYP2C19CYP1A2MEN1
SCHEMBL5046100 0.73 KCNN4 (0.50) PPARAPPARGCYP2C19CYP1A2MEN1
SCHEMBL2517938 0.73 KCNN4 (0.50) PPARAPPARGCYP2C19CYP1A2MEN1
SCHEMBL5383199 0.73 PPARA (0.59) PPARASMN1; SMN2PPARGRAB9AHTT
SCHEMBL5741480 0.72 MAPT (0.50) RAB9AL3MBTL1MEN1KMT2AALOX15
SCHEMBL7261032 0.72 ALOX15 (0.60) SMN1; SMN2CYP2C19CYP2C9L3MBTL1PPARD

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 PPARA 3/4885SMN1; SMN2 4742/4885PPARG 2/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA PPARA 3/4885SMN1; SMN2 4782/4885PPARG 1/4885

“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.