SCHEMBL10010089

SCHEMBL10010089

CC(C)(C#N)COC(=O)CCCC(=O)OCC(C)(C)C#N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.38
DGKA P23743 1/20 0.35
CYP1A2 P05177 1/20 0.35
PAM P19021 2/20 0.32
MAPT P10636 1/20 0.31
ALDH1A1 P00352 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 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
SCHEMBL10012816 0.96 DGKA (0.39) TSHRDGKACYP1A2PAMMAPT
SCHEMBL10012609 0.94 DGKA (0.42) TSHRDGKACYP1A2PAMMAPT
SCHEMBL10010090 0.93 TSHR (0.46) TSHRDGKACYP1A2PAMALDH1A1
SCHEMBL10012056 0.92 ADRA2A (0.35) TSHRMAPTALDH1A1
SCHEMBL28602342 0.91 DGKA (0.44) TSHRDGKACYP1A2PAMMAPT
SCHEMBL10012818 0.89 TSHR (0.41) TSHRPAMALDH1A1MEN1KMT2A
SCHEMBL10012611 0.88 PAM (0.42) TSHRDGKAPAMALDH1A1MEN1
SCHEMBL10012059 0.85 EGLN1 (0.38) TSHRPAMMAPTALDH1A1LMNA
SCHEMBL10011231 0.80 TSHR (0.38) TSHRDGKACYP1A2PAMMAPT
SCHEMBL23623232 0.77 ALDH1A1 (0.39) TSHRALDH1A1MEN1KMT2ALMNA

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 TSHR 3669/4885DGKA 1127/4885CYP1A2 3415/4885

“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.