SCHEMBL4335670

SCHEMBL4335670

CCOc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
PPARG P37231 2/20 0.43
LDHA P00338 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MGLL Q99685 1/20 0.42
TP53 P04637 2/20 0.42
MEN1 O00255 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
SCHEMBL13810410 0.94 KDM4E (0.47) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4486227 0.91 KDM4E (0.47) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4339592 0.90 KDM4E (0.46) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4335031 0.90 ALDH1A1 (0.50) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4340880 0.89 LDHA (0.48) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4345827 0.89 MTNR1B (0.51) KDM4EMAPTLMNAKMT2AALDH1A1
SCHEMBL4340426 0.89 LDHA (0.54) LMNAKMT2APPARGLDHANPC1
SCHEMBL13810553 0.88 PPARG (0.45) KDM4ECYP2D6CYP2C19MAPTLMNA
SCHEMBL4345261 0.88 PPARA (0.55) KDM4ECYP2D6CYP2C19MAPTKMT2A
SCHEMBL4335057 0.86 KDM4E (0.44) KDM4ECYP2D6CYP2C19MAPTLMNA

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.