SCHEMBL4486227

SCHEMBL4486227

CCOc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
LDHA P00338 1/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 2/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PPARG P37231 4/20 0.41
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPN2 P17706 1/20 0.40

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
SCHEMBL13810409 0.93 KDM4E (0.46) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4335670 0.91 KDM4E (0.48) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4339592 0.91 KDM4E (0.46) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4340880 0.90 LDHA (0.48) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4340268 0.89 LDHA (0.52) MAPTLDHARAB9ASMN1; SMN2ALDH1A1
SCHEMBL13810554 0.88 PPARG (0.43) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4345261 0.88 PPARA (0.55) KDM4ECYP2D6CYP2C19MAPTSMN1; SMN2
SCHEMBL13810410 0.85 KDM4E (0.47) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL4335031 0.84 ALDH1A1 (0.50) KDM4ECYP2D6CYP2C19LMNAMAPT
SCHEMBL13810417 0.83 KDM4E (0.45) KDM4ECYP2D6CYP2C19LMNAMAPT

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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 KDM4E 3094/4885CYP2D6 331/4885CYP2C19 2209/4885

“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.