SCHEMBL5382500

SCHEMBL5382500

Oc1ccc(OCc2ccc(OCC(F)(F)C(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
LMNA P02545 2/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PTPRZ1 P23471 2/20 0.46
PTPRC P08575 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPRB P23467 1/20 0.45
PTPN6 P29350 1/20 0.45
CDC25A P30304 1/20 0.45
PTPN11 Q06124 1/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 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
SCHEMBL5384421 0.92 HTT (0.50) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL14366584 0.85 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5382497 0.83 APP (0.52) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL5633306 0.78 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL11578826 0.78 APP (0.79) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL8560939 0.78 HTT (0.48) APPLMNAPTPRZ1PTPRCPTPN2
SCHEMBL6637857 0.78 HTT (0.45) LMNAPTPRZ1KMT2AHTTSMN1; SMN2
SCHEMBL507033 0.78 MAOB (0.50) KMT2AHTTSMN1; SMN2MAOBMAPT
SCHEMBL12952731 0.76 APP (0.59) APPLMNACYP1A2PTGS1SLC6A2
SCHEMBL7930468 0.75 HTT (0.40) LMNAKMT2AHTTSMN1; SMN2MAOB

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 6 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
CN-1543451-A Receptor modulators activated by peroxizonal proliferators (ppar) 2004-11-03 CN 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 APP 4768/4885LMNA 3747/4885CYP1A2 646/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA APP 4730/4885LMNA 4004/4885CYP1A2 568/4885

“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.