SCHEMBL10011526

SCHEMBL10011526

CCCCOC(CCC)(OCCCC)P=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ATM Q13315 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
SCHEMBL27567760 0.86 CYP3A4 (0.30) CYP3A4
SCHEMBL8647984 0.84 CYP3A4 (0.34) CYP3A4TSHRALDH1A1ADRB2ADRB1
SCHEMBL10593395 0.79 TSHR (0.35) CYP3A4TSHRALDH1A1ADRB2ADRB1
SCHEMBL9297600 0.76 FDPS (0.30)
SCHEMBL8649283 0.73 CYP3A4 (0.41) CYP3A4TSHRALDH1A1ADRB2ADRB1
SCHEMBL9299261 0.72 GGPS1 (0.36) ATM
SCHEMBL11032828 0.71 GGPS1 (0.35)
SCHEMBL14779460 0.69 CYP3A4 (0.40) CYP3A4TSHRALDH1A1ADRB2ADRB1
SCHEMBL8404973 0.69 CYP3A4 (0.40) CYP3A4TSHRALDH1A1ADRB2ADRB1
SCHEMBL11504759 0.69 CYP3A4 (0.40) CYP3A4TSHRALDH1A1ADRB2ADRB1

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 CYP3A4 3038/4885TSHR 3669/4885ALDH1A1 2965/4885

“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.