SCHEMBL5034451

SCHEMBL5034451

CCCCNC(=O)Nc1c(C)cccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 2/20 0.50
LCK P06239 1/20 0.50
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
EPHX1 P07099 6/20 0.49
LMNA P02545 1/20 0.48
GFER P55789 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ACAT1 P24752 1/20 0.46
ATM Q13315 1/20 0.46
EPHX2 P34913 1/20 0.45
FBP1 P09467 1/20 0.45

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
SCHEMBL10363330 0.81 ALDH1A1 (0.51) POLBALDH1A1MAPTLCKHTT
SCHEMBL17672416 0.80 EPHX1 (0.57) POLBALDH1A1HTTEPHX1NPSR1
SCHEMBL11219143 0.79 LMNA (0.51) POLBALDH1A1MAPTLCKHTT
SCHEMBL8773655 0.79 ALDH1A1 (0.56) POLBALDH1A1MAPTLCKHTT
SCHEMBL9800895 0.79 LCK (0.61) ALDH1A1LCKHTTEPHX1EPHX2
SCHEMBL9800902 0.79 LCK (0.61) ALDH1A1LCKHTTEPHX1EPHX2
SCHEMBL10362737 0.78 EPHX1 (0.58) POLBALDH1A1HTTEPHX1LMNA
SCHEMBL9800918 0.78 EPHX2 (0.55) ALDH1A1HTTEPHX1EPHX2
SCHEMBL9800925 0.78 EPHX1 (0.55) POLBALDH1A1HTTEPHX1LMNA
SCHEMBL8919046 0.78 EPHX1 (0.51) POLBALDH1A1HTTEPHX1EPHX2

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 6 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
EP-0609457-B1 BENZENE DERIVATIVE EISAI CO LTD (JP) 1997-10-29 EP disclosed
US-5462958-A Administering a cholesterol O-acyl transferase inhibitor EISAI CO., LTD. (JP) 1995-10-31 US disclosed
EP-0609457-A1 BENZENE DERIVATIVE Eisai Co., Ltd. (JP) 1994-08-10 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 POLB 1978/4885ALDH1A1 1662/4885MAPT 4663/4885

“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.