SCHEMBL4348461

SCHEMBL4348461

CCOc1ccc(CC(C(=O)O)C(=O)O)cc1COC(=O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CYP2D6 P10635 1/20 0.43
OPRK1 P41145 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 1/20 0.40
PTGER1 P34995 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 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
SCHEMBL13810416 0.93 SMN1; SMN2 (0.47) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL4336515 0.90 LDHA (0.48) SMN1; SMN2KDM4EOPRK1ALDH1A1MAPT
SCHEMBL4335057 0.89 KDM4E (0.44) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL4335802 0.89 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL4332405 0.89 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL4339592 0.87 KDM4E (0.46) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL6686370 0.85 SMN1; SMN2 (0.43) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL4335031 0.84 ALDH1A1 (0.50) SMN1; SMN2CYP2C19CYP1A2KDM4ECYP2D6
SCHEMBL13810388 0.84 ADRB2 (0.45) SMN1; SMN2CYP2C19CYP1A2KDM4EOPRK1
SCHEMBL4341241 0.82 KDM4E (0.44) CYP2C19KDM4ECYP2D6MEN1KMT2A

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 SMN1; SMN2 3054/4885CYP2C19 2209/4885CYP1A2 1508/4885

“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.