SCHEMBL4333354

SCHEMBL4333354

CC(C)OC(Cc1ccccc1COC(=O)Nc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HTT P42858 3/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45

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
SCHEMBL4329791 0.89 LMNA (0.44) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4327192 0.88 CYP1A2 (0.56) ALDH1A1MAPTMEN1KMT2ACYP1A2
SCHEMBL6724483 0.87 MTNR1B (0.48) MEN1KMT2ATSHRMAPK1SMN1; SMN2
SCHEMBL4333352 0.86 HPGD (0.53) ALDH1A1HPGDALOX15MAPTMEN1
SCHEMBL4341155 0.85 ALDH1A1 (0.48) ALDH1A1HPGDALOX15MAPTMEN1
SCHEMBL4348521 0.85 MGLL (0.48) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL4340671 0.84 OPRK1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL4341658 0.83 MAPT (0.48) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6723678 0.82 SMN1; SMN2 (0.54) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL4327391 0.82 ALDH1A1 (0.46) ALDH1A1HPGDALOX15MAPTMEN1

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 ALDH1A1 844/4885HPGD 2910/4885ALOX15 1009/4885

“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.