SCHEMBL5377231

SCHEMBL5377231

COC(=O)C(OC)C(O)c1ccc(OCc2ccccc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
F2 P00734 3/20 0.52
F10 P00742 3/20 0.52
PRSS1 P07477 3/20 0.52
F7 P08709 3/20 0.52
PRSS2 P07478 1/20 0.52
F3 P13726 1/20 0.52
PRSS3 P35030 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 1/20 0.49
MTNR1A P48039 2/20 0.49

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
SCHEMBL19734616 0.85 NPC1 (0.57) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL5380768 0.82 LTA4H (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19738141 0.81 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL10757599 0.81 ACHE (0.50) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL9332243 0.81 ACHE (0.50) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL5360486 0.81 KMT2A (0.54) RAB9ASMN1; SMN2MEN1KMT2AGAA
SCHEMBL5379628 0.81 FFAR4 (0.49) HPGDNPC1RAB9ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL10363057 0.80 ACHE (0.49) HPGDNPC1RAB9ASMN1; SMN2F2
SCHEMBL7270994 0.80 F2 (0.48) HPGDNPC1RAB9ASMN1; SMN2F2
Hydrochloric Acid SCHEMBL10362922 0.80 ACHE (0.49) HPGDNPC1RAB9ASMN1; SMN2F2

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 9 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-20070276138-A1 Modulators of peroxisome proliferator activated receptors BROOKS DAWN A 2007-11-29 US disclosed
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-7192982-B2 Modulators of peroxisome proliferator activated receptors LIGAND PHARMACEUTICALS, INC. (US) 2007-03-20 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 HPGD 2026/4885NPC1 1429/4885RAB9A 3987/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA HPGD 2278/4885NPC1 1791/4885RAB9A 3865/4885

“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.