SCHEMBL4334617

SCHEMBL4334617

CCOc1ccc(CC(OC(C)C)C(=O)O)cc1COC(=O)Nc1ccc(N(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MCL1 Q07820 3/20 0.41
RAB9A P51151 3/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PPARG P37231 4/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NOX1 Q9Y5S8 1/20 0.39
ACACB O00763 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
GFER P55789 1/20 0.36
PPARA Q07869 2/20 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
SCHEMBL13810562 0.90 PPARG (0.42) ALDH1A1MAPTRAB9AHPGDNPC1
SCHEMBL13810554 0.90 PPARG (0.43) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL13810553 0.90 PPARG (0.45) ALDH1A1MAPTKDM4ERAB9AMAPK1
SCHEMBL4331640 0.89 PPARG (0.42) ALDH1A1MAPTKDM4ERAB9ANPC1
SCHEMBL13810572 0.89 KMT2A (0.43) MAPTKDM4ESMN1; SMN2PPARGCYP2D6
SCHEMBL13810555 0.88 PPARG (0.41) ALDH1A1KDM4ERAB9AHPGDNPC1
SCHEMBL4328960 0.87 PPARG (0.40) MAPTKDM4EMCL1PPARGCYP2D6
SCHEMBL13810557 0.87 PPARA (0.50) MAPTPPARGPPARAPPARD
SCHEMBL4334222 0.86 SMN1; SMN2 (0.48) ALDH1A1MAPTRAB9ASMN1; SMN2PPARG
SCHEMBL13810565 0.85 PPARG (0.46) ALDH1A1MAPTHPGDPPARGCYP2D6

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 ALDH1A1 844/4885MAPT 4654/4885KDM4E 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.