SCHEMBL4335087

SCHEMBL4335087

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)OCc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
BLM P54132 1/20 0.41
HTT P42858 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 2/20 0.41
GALR3 O60755 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 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
SCHEMBL4329430 0.91 PPARA (0.40) KMT2AGAAKDM4EALDH1A1POLB
SCHEMBL4328087 0.91 KMT2A (0.44) KMT2AGAAALDH1A1MEN1L3MBTL1
SCHEMBL4336608 0.90 PPARG (0.42) KMT2AGAAALDH1A1MEN1L3MBTL1
SCHEMBL4335802 0.90 SMN1; SMN2 (0.43) KMT2AGAAKDM4EALDH1A1POLB
SCHEMBL4332405 0.90 SMN1; SMN2 (0.43) KMT2AGAAKDM4EALDH1A1POLB
SCHEMBL4347011 0.86 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2PPARAPPARG
SCHEMBL4337947 0.85 PPARA (0.42) KMT2AGAAKDM4EALDH1A1MEN1
SCHEMBL4328778 0.83 GAA (0.47) KMT2AGAAALDH1A1MEN1L3MBTL1
SCHEMBL4329366 0.83 SMN1; SMN2 (0.53) KMT2AMEN1L3MBTL1MAPTTHRB
SCHEMBL4331640 0.83 PPARG (0.42) KMT2AGAAKDM4EALDH1A1MEN1

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 5 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-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
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 KMT2A 2774/4885GAA 2303/4885KDM4E 3094/4885

“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.