SCHEMBL4339592

SCHEMBL4339592

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 1/20 0.42
CYP2C9 P11712 1/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
CNR1 P21554 1/20 0.42
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 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
SCHEMBL13810417 0.93 KDM4E (0.45) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4486227 0.91 KDM4E (0.47) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4335670 0.90 KDM4E (0.48) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4338073 0.89 LDHA (0.51) CYP2D6CYP2C19ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4335031 0.89 ALDH1A1 (0.50) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4340880 0.89 LDHA (0.48) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4331640 0.88 PPARG (0.42) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4348461 0.87 SMN1; SMN2 (0.47) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A
SCHEMBL4345261 0.87 PPARA (0.55) KDM4ECYP2D6CYP2C19KMT2ASMN1; SMN2
SCHEMBL13810410 0.84 KDM4E (0.47) KDM4ECYP2D6CYP2C19ALDH1A1KMT2A

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.