SCHEMBL4328620

SCHEMBL4328620

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1NC(=O)COc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HTT P42858 2/20 0.43
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL4337069 0.90 PPARG (0.46) L3MBTL1LMNAGAASMN1; SMN2CYP1A2
SCHEMBL4329366 0.87 SMN1; SMN2 (0.53) L3MBTL1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4347175 0.85 MEN1 (0.50) L3MBTL1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4336526 0.85 PPARG (0.45) L3MBTL1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4333407 0.83 PPARA (0.47) LMNAGAASMN1; SMN2CYP2C19ALDH1A1
SCHEMBL4345878 0.82 PPARA (0.50) CYP1A2CYP2C19ALDH1A1TSHRHPGD
SCHEMBL4337189 0.79 MAPT (0.52) L3MBTL1LMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4336608 0.78 PPARG (0.42) L3MBTL1LMNAGAASMN1; SMN2ALDH1A1
SCHEMBL4331663 0.78 SMN1; SMN2 (0.50) L3MBTL1LMNAGAASMN1; SMN2ALDH1A1
SCHEMBL4337947 0.76 PPARA (0.42) LMNAGAASMN1; SMN2ALDH1A1PPARG

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 L3MBTL1 3856/4885LMNA 3790/4885GAA 2303/4885

“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.