SCHEMBL10011317

SCHEMBL10011317

N#CCCCCOC(=O)CCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TSHR P16473 3/20 0.42
SLC22A6 Q4U2R8 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CASP6 P55212 1/20 0.36
DGKA P23743 1/20 0.36
LMNA P02545 2/20 0.34
PTPN7 P35236 3/20 0.34
HMGCR P04035 1/20 0.34
NOD1 Q9Y239 1/20 0.34
PAM P19021 2/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL10011140 0.98 NPC1 (0.44) NPC1TSHRSLC22A6CYP1A2CYP2D6
SCHEMBL10010327 0.96 NPC1 (0.42) NPC1TSHRCYP1A2CYP2D6MAPT
SCHEMBL10012232 0.95 CYP1A2 (0.44) NPC1TSHRCYP1A2CYP2D6MAPT
SCHEMBL10010269 0.95 CYP1A2 (0.44) NPC1TSHRCYP1A2CYP2D6MAPT
SCHEMBL10011656 0.95 TSHR (0.44) NPC1TSHRSLC22A6CYP1A2CYP2D6
SCHEMBL10009704 0.93 DGKA (0.41) NPC1TSHRCYP1A2MAPTCYP2C9
SCHEMBL10012894 0.91 DGKA (0.41) NPC1TSHRSLC22A6CYP1A2CYP2D6
SCHEMBL10012150 0.91 NPC1 (0.40) NPC1TSHRCYP1A2CYP2D6MAPT
SCHEMBL10011136 0.91 DGKA (0.44) NPC1TSHRMAPTALDH1A1DGKA
SCHEMBL10011457 0.89 HTR2C (0.40) NPC1TSHRCYP1A2CYP2D6MAPT

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 NPC1 2731/4885TSHR 3669/4885SLC22A6 268/4885

“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.