SCHEMBL4335057

SCHEMBL4335057

CCOc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.39
LDHA P00338 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL13810418 0.93 KDM4E (0.44) KDM4ECYP2C19CYP2D6ALDH1A1NPC1
SCHEMBL4348471 0.90 LDHA (0.49) CYP2C19ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4348461 0.89 SMN1; SMN2 (0.47) KDM4ECYP2C19CYP2D6ALDH1A1NPC1
SCHEMBL4335670 0.86 KDM4E (0.48) KDM4ECYP2C19CYP2D6ALDH1A1NPC1
SCHEMBL4339592 0.84 KDM4E (0.46) KDM4ECYP2C19CYP2D6ALDH1A1NPC1
SCHEMBL13810389 0.84 PDE4D (0.46) CYP2C19ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4335031 0.83 ALDH1A1 (0.50) KDM4ECYP2C19CYP2D6ALDH1A1NPC1
SCHEMBL13810416 0.82 SMN1; SMN2 (0.47) KDM4ECYP2C19CYP2D6ALDH1A1SMN1; SMN2
SCHEMBL4341241 0.81 KDM4E (0.44) KDM4ECYP2C19CYP2D6MEN1KMT2A
SCHEMBL4486227 0.81 KDM4E (0.47) KDM4ECYP2C19CYP2D6ALDH1A1NPC1

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 3094/4885CYP2C19 2209/4885CYP2D6 331/4885

“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.