SCHEMBL5034450

SCHEMBL5034450

CC(C)Oc1ccc(C(=O)NCc2cccc(CC3(C(=O)O)CCCO3)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
TNKS O95271 2/20 0.39
TNKS2 Q9H2K2 2/20 0.39
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
APEX1 P27695 2/20 0.38
TP53 P04637 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
PTGER4 P35408 1/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL5037109 0.92 TP53 (0.41) ALDH1A1TNKSTNKS2NPC1RAB9A
SCHEMBL5032927 0.90 ALDH1A1 (0.43) ALDH1A1TNKSTNKS2MEN1NPC1
SCHEMBL5029835 0.88 ALDH1A1 (0.42) ALDH1A1TNKSTNKS2MEN1NPC1
SCHEMBL5029916 0.87 HRH3 (0.39) ALDH1A1TNKSTNKS2MEN1NPC1
SCHEMBL5034484 0.86 LMNA (0.43) ALDH1A1NPC1RAB9ASMN1; SMN2APEX1
SCHEMBL5029881 0.86 PPARA (0.40) ALDH1A1TNKSTNKS2GAAMAPT
SCHEMBL5037171 0.85 PPARA (0.37) ALDH1A1MEN1NPC1RAB9AKMT2A
SCHEMBL5034512 0.84 CHRM3 (0.42) PPARGPPARAPTGER4CA12CA1
SCHEMBL5029832 0.81 ALDH1A1 (0.39) ALDH1A1TNKSTNKS2MEN1NPC1
SCHEMBL5037190 0.80 ALDH1A1 (0.39) ALDH1A1MEN1NPC1RAB9AKMT2A

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 ALDH1A1 1662/4885TNKS 4095/4885TNKS2 4220/4885

“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.