SCHEMBL18175896

SCHEMBL18175896

O=C1OCC(C(=O)OCCCCCCOC(=O)C2COC(=O)O2)O1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARG P37231 3/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL20253646 1.00 TSHR (0.46) TSHRGAAALDH1A1CYP3A4KDM4E
SCHEMBL12027682 0.98 GAA (0.47) TSHRGAAKDM4EHPGD
SCHEMBL20253655 0.95 GAA (0.47) TSHRGAAKDM4EHPGD
SCHEMBL20253561 0.92 PPARG (0.43) TSHRGAAALDH1A1PPARG
SCHEMBL18175952 0.91 GAA (0.49) TSHRGAAKDM4EHPGD
SCHEMBL23919090 0.90 GAA (0.40) TSHRGAA
SCHEMBL20253556 0.89 TSHR (0.43) TSHRGAAALDH1A1CYP3A4KDM4E
SCHEMBL14174681 0.89 GAA (0.43) TSHRGAAALDH1A1KDM4EHPGD
SCHEMBL18175894 0.89 GAA (0.43) TSHRGAAALDH1A1KDM4EHPGD
SCHEMBL20253581 0.89 GAA (0.43) TSHRGAAKDM4EHPGD

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-20190198928-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2019-06-27 US disclosed
US-10263285-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same UBE INDUSTRIES, LTD. (JP) 2019-04-16 US disclosed
US-20180166746-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2018-06-14 US disclosed
US-20180166746-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2018-06-14 US disclosed
EP-3086396-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME UBE Industries, Ltd. (JP) 2016-10-26 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 (3 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-20180166746-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME SLC9A2, VDAC1, SCO2 TSHR 2418/4885GAA 4518/4885ALDH1A1 1748/4885
US-20190198928-A1 NONAQUEOUS ELECTROLYTE, CAPACITOR DEVICE USING SAME, AND CARBOXYLIC ACID ESTER COMPOUND USED IN SAME SLC9A2, VDAC1, SCO2 TSHR 2418/4885GAA 4518/4885ALDH1A1 1748/4885
US-10263285-B2 Nonaqueous electrolyte, capacitor device using same, and carboxylic acid ester compound used in same SLC9A2, VDAC1, SCO2 TSHR 2418/4885GAA 4518/4885ALDH1A1 1748/4885

“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.