SCHEMBL10012683

SCHEMBL10012683

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 5/20 0.41
MAPT P10636 4/20 0.41
CYP1A2 P05177 3/20 0.41
LMNA P02545 6/20 0.40
GMNN O75496 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
GLA P06280 1/20 0.40
PMP22 Q01453 1/20 0.40
ALDH1A1 P00352 1/20 0.40
EPHX2 P34913 1/20 0.38
PRKCA P17252 1/20 0.37

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
SCHEMBL10011133 0.97 TSHR (0.41) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL3212483 0.82 MAPK1 (0.51) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL10673241 0.82 MAPK1 (0.53) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL10010318 0.81 TSHR (0.39) MAPTCYP1A2LMNATSHRCYP2C9
SCHEMBL7182119 0.81 MAPK1 (0.54) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL28371366 0.81 MAPK1 (0.54) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL28372527 0.81 MAPK1 (0.54) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL28367234 0.80 MAPK1 (0.56) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL28371322 0.80 MAPK1 (0.56) MAPK1MAPTCYP1A2LMNAGMNN
SCHEMBL27824020 0.80 MAPK1 (0.56) MAPK1MAPTCYP1A2LMNAGMNN

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 MAPK1 404/4885MAPT 4867/4885CYP1A2 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.