SCHEMBL5051707

SCHEMBL5051707

CCOc1cc(O)cc(CC(=O)OC)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.69
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ CALM1 P0DP23 2/20 0.43
▸ NLRP3 Q96P20 1/20 0.41
▸ CNR1 P21554 7/20 0.41
▸ CNR2 P34972 7/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SLC5A1 P13866 1/20 0.40
▸ SLC5A2 P31639 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ CYP4F2 P78329 1/20 0.40
▸ CYP4A11 Q02928 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MAPK1 P28482 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
SCHEMBL5050176 0.88 HSP90AB1 (0.65) HSP90AB1CNR1CNR2SLC5A1SLC5A2
SCHEMBL9202392 0.87 HSP90AB1 (0.69) HSP90AB1ALDH1A1GAAGFERCALM1
SCHEMBL5050245 0.86 HSP90AB1 (0.63) HSP90AB1CNR1CNR2PTGS2
SCHEMBL14626264 0.85 HSP90AB1 (0.51) HSP90AB1ALDH1A1GAACALM1HTT
SCHEMBL2977953 0.85 HSP90AB1 (0.76) HSP90AB1ALDH1A1GAAGFERCALM1
SCHEMBL5317651 0.83 THRB (0.54) HSP90AB1CALM1SLC5A1SLC5A2
SCHEMBL478058 0.82 HSP90AB1 (1.00) HSP90AB1ALDH1A1GAAGFERCYP4F2
SCHEMBL8151711 0.82 HSP90AB1 (0.92) HSP90AB1ALDH1A1GAAGFERHTT
SCHEMBL1592618 0.82 HSP90AB1 (0.61) HSP90AB1ALDH1A1PTGS2NPC1RAB9A
SCHEMBL12703271 0.81 LTB4R (0.56) HSP90AB1ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 — — US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 — — US disclosed
US-20080249137-A1 PPAR active compounds PLEXXIKON INC 2008-10-09 — — US disclosed
EP-1940767-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-07-09 — — EP disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 — — WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 — — WO disclosed
WO-2007030567-A2 PPARACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2007-03-15 — — 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 (1 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-20080249137-A1 PPAR active compounds PPARG, PPARA, PPARD HSP90AB1 349/4885ALDH1A1 789/4885GAA 1817/4885

“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.

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