SCHEMBL5034475

SCHEMBL5034475

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1COC(=O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
NPC1 O15118 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 8/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 2/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL5031782 0.89 KMT2A (0.41) RAB9ANPC1CYP1A2HTTMAPT
SCHEMBL5036996 0.88 PPARG (0.41) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5029873 0.86 CYP3A4 (0.44) RAB9ANPC1CYP3A4HTTMAPT
SCHEMBL5032962 0.86 PPARA (0.43) CYP1A2CYP2C9CYP2C19MAPTALDH1A1
SCHEMBL5032957 0.85 ALDH1A1 (0.45) RAB9ANPC1CYP1A2CYP3A4CYP2C19
SCHEMBL5037134 0.83 PPARG (0.45) RAB9AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL5037083 0.81 CYP1A2 (0.40) CYP1A2CYP2C19MAPTALDH1A1SMN1; SMN2
SCHEMBL5034560 0.81 ALDH1A1 (0.37) NPC1ALDH1A1TSHRATMMEN1
SCHEMBL13810568 0.77 RAB9A (0.53) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL5031806 0.76 TSHR (0.44) ALDH1A1SMN1; SMN2TSHRMEN1KMT2A

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 RAB9A 3232/4885NPC1 1190/4885CYP1A2 493/4885

“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.