SCHEMBL5032923

SCHEMBL5032923

CC(=O)c1cc(O)cc2c1OCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.49
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
HTR3A P46098 1/20 0.37
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
CYP2A6 P11509 1/20 0.35
CA5A P35218 1/20 0.35
HPGD P15428 3/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
ALOX15 P16050 2/20 0.35
PTGES O14684 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL219830 0.85 HTR3A (0.50) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL13294905 0.81 PARP1 (0.51) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10546955 0.79 PARP1 (0.45) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL28803972 0.79 MAOB (0.44) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL25642151 0.79 CA12 (0.48) PARP1ALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8545255 0.76 PARP1 (0.43) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL29814344 0.76 PARP1 (0.43) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL5542434 0.74 CYP3A4 (0.41) PARP1LMNACYP3A4ALOX15ESR1
SCHEMBL3360298 0.74 PARP1 (0.72) PARP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL10886825 0.73 TSHR (0.39) PARP1ALDH1A1KDM4EHSD17B10LMNA

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 3 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-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 PARP1 2094/4885ALDH1A1 1662/4885KDM4E 2818/4885

“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.