SCHEMBL4333002

SCHEMBL4333002

CCOOP(=O)(CC(=O)OCC)OCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
PPARD Q03181 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TRPA1 O75762 1/20 0.38
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL11340245 0.90 GAA (0.44) TSHRMGAMGAASIMGAM2
SCHEMBL16047 0.86 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL18759661 0.86 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL1331297 0.86 TSHR (0.48) TSHRMGAMGAASIMGAM2
SCHEMBL11565404 0.85 TSHR (0.40) TSHRPPARDTDP1TP53
SCHEMBL31218556 0.81 TSHR (0.43) TSHRMGAMGAASIMGAM2
SCHEMBL2238293 0.81 TSHR (0.43) TSHRMGAMGAASIMGAM2
SCHEMBL4327885 0.81 TSHR (0.36) TSHRMGAMGAASIMGAM2
SCHEMBL31267487 0.80 ALDH1A1 (0.33) TSHRMGAMGAASIMGAM2
Ethyl Acetate SCHEMBL30306639 0.79 ALDH1A1 (0.54) TSHRMGAMGAASIMGAM2

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 TSHR 532/4885MGAM 3610/4885GAA 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.