SCHEMBL10011077

SCHEMBL10011077

C#CCCOC(=O)CC#C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 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
SCHEMBL6423396 0.87 DGKA (0.36) MEN1KMT2AMAPTCYP2C19TSHR
SCHEMBL16024226 0.86 MAPT (0.40) MEN1KMT2ACA2CA9CYP1A2
SCHEMBL10011577 0.85 ADRA2A (0.44) MEN1KMT2ACA2CA9CYP1A2
SCHEMBL10010587 0.84 MEN1 (0.33) MEN1KMT2A
SCHEMBL10009581 0.83 MEN1 (0.42) MEN1KMT2ACA2CA9CYP1A2
SCHEMBL17404784 0.82 NAAA (0.38) MEN1KMT2ATSHRADRA2AADRA1A
SCHEMBL29094028 0.82 NAAA (0.43) TSHRADRA2AADRA1A
SCHEMBL10011989 0.81 DGKA (0.48) MEN1KMT2ACA2CA9CYP1A2
SCHEMBL10012968 0.81 DGKA (0.43) MEN1KMT2ACA2CA9CYP1A2
SCHEMBL576307 0.81

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 MEN1 2922/4885KMT2A 3003/4885CA2 14/4885

“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.