SCHEMBL5032949

SCHEMBL5032949

O=C(NCc1ccc(CC2(C(=O)O)CCCO2)cc1)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
FFAR4 Q5NUL3 4/20 0.40
LIPG Q9Y5X9 1/20 0.38
WDR5 P61964 3/20 0.37
S1PR3 Q99500 1/20 0.37
P2RX7 Q99572 3/20 0.36
HSD17B10 Q99714 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL5029916 0.92 HRH3 (0.39) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL5031836 0.88 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL5030048 0.86 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DHRH3
SCHEMBL5037109 0.86 TP53 (0.41)
SCHEMBL5037190 0.85 ALDH1A1 (0.39)
SCHEMBL5031993 0.85 HPGD (0.42) P2RX7
SCHEMBL5034450 0.79 ALDH1A1 (0.39) S1PR3
SCHEMBL5032927 0.79 ALDH1A1 (0.43)
SCHEMBL6888818 0.78 HTT (0.43)
SCHEMBL5029835 0.78 ALDH1A1 (0.42)

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-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-7371777-B2 Cyclic compound and PPAR agonist EISAI CO., LTD. (JP) 2008-05-13 US disclosed
US-20050014833-A1 Cyclic compound and ppar agonist EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-20 US disclosed
EP-1452521-A1 CYCLIC COMPOUND AND PPAR AGONIST Eisai Co., Ltd. (JP) 2004-09-01 EP 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-20050014833-A1 Cyclic compound and ppar agonist PPARA, PPARG, PPARD PDE4A 1570/4885PDE4B 1844/4885PDE4C 1828/4885

“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.