SCHEMBL10010318

SCHEMBL10010318

CC(CCC#N)OC(=O)CCCCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
LMNA P02545 4/20 0.39
PTPN7 P35236 3/20 0.35
HMGCR P04035 1/20 0.35
EPHX2 P34913 1/20 0.34
NFKB1 P19838 1/20 0.34
PMP22 Q01453 1/20 0.34
AKR1B1 P15121 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10012226 0.98 LMNA (0.41) TSHRLMNAPTPN7HMGCRNFKB1
SCHEMBL10011313 0.97 TSHR (0.43) TSHRLMNAEPHX2CYP1A2
SCHEMBL10011192 0.94 TSHR (0.39) TSHRLMNAPTPN7HMGCREPHX2
SCHEMBL10010317 0.93 LMNA (0.43) TSHRLMNAEPHX2MAPTALDH1A1
SCHEMBL10012225 0.92 LMNA (0.46) TSHRLMNAEPHX2MAPTALDH1A1
SCHEMBL10012661 0.90 EGLN1 (0.36) TSHRLMNACYP1A2
SCHEMBL10011312 0.90 LMNA (0.39) TSHRLMNAEPHX2MAPTALDH1A1
SCHEMBL10011188 0.86 LMNA (0.43) TSHRLMNAEPHX2MAPTALDH1A1
SCHEMBL10012660 0.86 TSHR (0.40) TSHRLMNAEPHX2
SCHEMBL10476515 0.85 FAAH (0.36) TSHRLMNAEPHX2CYP1A2ALDH1A1

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 3669/4885LMNA 2788/4885PTPN7 32/4885

“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.