SCHEMBL5385979

SCHEMBL5385979

CCOC(=O)[C@@H](O)Cc1ccc(O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.50
ESR2 Q92731 5/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
SLC7A5 Q01650 1/20 0.44
PTGS2 P35354 3/20 0.44
BACE1 P56817 1/20 0.44
TAAR1 Q96RJ0 3/20 0.44
SLC6A2 P23975 1/20 0.44
MIF P14174 1/20 0.43
MMP8 P22894 1/20 0.43

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
SCHEMBL5100527 1.00 ESR1 (0.50) ESR1ESR2CA12CA1CA2
SCHEMBL29925962 0.91 LTA4H (0.51)
SCHEMBL9302656 0.86 ESR1 (0.53) ESR1ESR2CA12CA1CA2
SCHEMBL7512037 0.84 CYP1A2 (0.51) CYP1A2CYP2C9HIF1AMMP8
SCHEMBL1785293 0.84 MMP8 (0.59) CYP1A2CYP2C9HIF1AMMP8
SCHEMBL3910015 0.84 ESR1 (0.65) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL15689792 0.84 ESR1 (0.65) ESR1ESR2SLC7A5TAAR1SLC6A2
SCHEMBL5800254 0.84 MMP8 (0.55) ESR1ESR2CA12CA1CA2
SCHEMBL6284464 0.84 MMP8 (0.59) CYP1A2CYP2C9HIF1AMMP8
SCHEMBL1245765 0.84 MMP8 (0.59) CYP1A2CYP2C9HIF1AMMP8

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
WO-2008108602-A1 NOVEL PHENYLPROPIONIC ACID DERIVATIVES AS PEROXISOME PROLIFERATOR-ACTIVATED GAMMA RECEPTOR MODULATORS, METHOD OF THE SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG-A PHARM. CO., LTD. (KR) 2008-09-12 WO 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-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

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 ESR1 571/4885ESR2 183/4885CA12 3435/4885
US-20070276138-A1 Modulators of peroxisome proliferator activated receptors PPARG, NCOA4, PPARA ESR1 431/4885ESR2 151/4885CA12 3382/4885

“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.