SCHEMBL4339623

SCHEMBL4339623

COc1ccc(COC(=O)Nc2ccc(OC)c(CC(OC(C)C)C(=O)O)c2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
HIF1A Q16665 1/20 0.38
MTNR1B P49286 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL4333160 0.90 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2ALDH1A1MAPTMEN1
SCHEMBL4328897 0.89 PPARA (0.43) SMN1; SMN2MAPT
SCHEMBL4340787 0.84 NPC1 (0.47) SMN1; SMN2HIF1AMTNR1BALDH1A1MAPT
SCHEMBL13810706 0.83 SMN1; SMN2 (0.43) SMN1; SMN2HIF1AALDH1A1GAAMAPT
SCHEMBL4337108 0.82 PPARA (0.45) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL4343465 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL4343697 0.82 GAA (0.44) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL4343670 0.81 TSHR (0.44) SMN1; SMN2HIF1ACYP1A2CYP2C9ALDH1A1
SCHEMBL4335887 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1GAAMAPTMEN1
SCHEMBL4339978 0.81 ALDH1A1 (0.39) SMN1; SMN2CYP1A2CYP2C9ALDH1A1GAA

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 SMN1; SMN2 3054/4885HIF1A 447/4885MTNR1B 74/4885

“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.