SCHEMBL5029916

SCHEMBL5029916

O=C(NCc1cccc(CC2(C(=O)O)CCCO2)c1)c1ccc(OC2CCCC2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
S1PR3 Q99500 2/20 0.39
FFAR4 Q5NUL3 3/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.36
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
WDR5 P61964 2/20 0.36
EPHX2 P34913 1/20 0.36
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35

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
SCHEMBL5032949 0.92 PDE4A (0.40) HRH3S1PR3FFAR4HSD17B10PDE4A
SCHEMBL5034450 0.87 ALDH1A1 (0.39) S1PR3MEN1NPC1RAB9AKMT2A
SCHEMBL5032927 0.87 ALDH1A1 (0.43) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5029835 0.86 ALDH1A1 (0.42) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL5034484 0.86 LMNA (0.43) NPC1RAB9ASMN1; SMN2ALDH1A1PPARG
SCHEMBL5031836 0.86 PDE4A (0.43) HRH3FFAR4ALDH1A1PDE4APDE4B
SCHEMBL5030048 0.84 PDE4A (0.37) HRH3FFAR4PDE4APDE4BPDE4C
SCHEMBL5034512 0.83 CHRM3 (0.42) PPARGPPARA
SCHEMBL5032956 0.82 HRH3 (0.38) HRH3S1PR3FFAR4MEN1NPC1
SCHEMBL5037109 0.79 TP53 (0.41) NPC1RAB9AALDH1A1TNKSTNKS2

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 HRH3 1085/4885S1PR3 1422/4885FFAR4 96/4885

“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.