SCHEMBL5037083

SCHEMBL5037083

CCOc1ccc(CC2(C(=O)O)CCCO2)cc1COC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PPARD Q03181 2/20 0.36
HPGD P15428 2/20 0.36
USP2 O75604 1/20 0.36
OPRK1 P41145 1/20 0.35
ADRB2 P07550 1/20 0.35
PTGER1 P34995 1/20 0.35
KDM4E B2RXH2 1/20 0.34
RORC P51449 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL5036996 0.89 PPARG (0.41) CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5032957 0.88 ALDH1A1 (0.45) CYP1A2CYP2C19ALDH1A1MAPK1PPARG
SCHEMBL5031840 0.86 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPK1PPARGPPARA
SCHEMBL5034560 0.85 ALDH1A1 (0.37) ALDH1A1MAPK1PPARGPPARAL3MBTL1
SCHEMBL5031782 0.83 KMT2A (0.41) CYP1A2ALDH1A1MAPK1PPARGPPARA
SCHEMBL5034475 0.81 RAB9A (0.51) CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5032962 0.81 PPARA (0.43) CYP1A2CYP2C19SMN1; SMN2ALDH1A1MAPK1
SCHEMBL5034509 0.80 HDAC1 (0.41) MAPK1PPARGPPARAL3MBTL1MEN1
SCHEMBL5031806 0.80 TSHR (0.44) SMN1; SMN2ALDH1A1MAPK1PPARGPPARA
SCHEMBL5031759 0.80 PPARG (0.42) ALDH1A1PPARGPPARAL3MBTL1MAPT

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 CYP1A2 493/4885CYP2C19 737/4885SMN1; SMN2 4707/4885

“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.