SCHEMBL10012502

SCHEMBL10012502

C#CC(C)(C)OC(=O)CCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 2/20 0.41
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL10011162 0.96 TSHR (0.48) TSHRHSD17B10CYP1A2CYP2D6MAPT
SCHEMBL10012712 0.92 ELANE (0.40) TSHRHSD17B10CYP1A2CYP2D6MAPT
SCHEMBL10476466 0.89 EGLN1 (0.41) TSHRHSD17B10CYP1A2CYP2D6MAPT
SCHEMBL10010178 0.88 TSHR (0.41) TSHR
SCHEMBL10011292 0.84 ELANE (0.42) TSHR
SCHEMBL10012724 0.84 MAPT (0.46) TSHRHSD17B10CYP1A2CYP2D6MAPT
SCHEMBL10011112 0.81 ALOX5 (0.40) TSHRHSD17B10CYP1A2CYP2D6MAPT
SCHEMBL10011138 0.81 ELANE (0.36) TSHR
SCHEMBL10012447 0.81 ELANE (0.33) HSD17B10CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL10011937 0.79 HSD17B10 (0.44) TSHRHSD17B10CYP1A2CYP2D6MAPT

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 3669/4885HSD17B10 1563/4885CYP1A2 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.