SCHEMBL10012942

SCHEMBL10012942

C=CCOC(=O)C(C)OP(C)(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.36
CYP3A4 P08684 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
CTSA P10619 1/20 0.31
ACHE P22303 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10011285 0.84 TDP1 (0.37) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL10011682 0.82 TDP1 (0.38) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL10011374 0.80 TSHR (0.38) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL10011443 0.77 TSHR (0.31) TSHR
SCHEMBL10010823 0.76 ALDH1A1 (0.39) TDP1TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL10539103 0.76 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL10011063 0.76 TDP1 (0.40) TDP1TSHRCYP3A4PKMSMN1; SMN2
SCHEMBL12921953 0.75 CYP2D6 (0.35) TDP1TSHRSMN1; SMN2ALDH1A1
SCHEMBL10687652 0.75 TDP1 (0.43) TDP1TSHRCYP3A4SMN1; SMN2MAPT
SCHEMBL6476278 0.73 TDP1 (0.48) TDP1TSHRCYP3A4PKMSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9130244-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2015-09-08 US disclosed
EP-2908376-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2015-08-19 EP disclosed
EP-2479831-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2012-07-25 EP disclosed
US-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2012-07-05 US 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-20120171581-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME SLC8A1, OR10J3, SLC8B1 TDP1 4475/4885TSHR 3669/4885CYP3A4 3038/4885

“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.