SCHEMBL17720798

SCHEMBL17720798

CCCCC(CC)COC(=O)Oc1ccccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CA2 P00918 1/20 0.55
▸ LMNA P02545 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TSHR P16473 3/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ ELANE P08246 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PKM P14618 1/20 0.40

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
SCHEMBL17720728 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL23271684 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL30003256 0.82 ALDH1A1 (0.60) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL11177661 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL11170890 0.81 ALDH1A1 (0.56) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL28023159 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL28381116 0.81 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL1157295 0.80 ELANE (0.63) ALDH1A1CYP3A4LMNAMAPK1TSHR
SCHEMBL20519779 0.80 KDM4E (0.47) ALDH1A1CYP3A4CA2LMNAMAPK1
SCHEMBL9351922 0.80 ALDH1A1 (0.54) ALDH1A1CYP3A4CA2LMNAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 — — US disclosed
US-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME UBE INDUSTRIES, LTD. (JP) 2016-05-05 — — 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-20160126593-A1 NONAQUEOUS ELECTROLYTE SOLUTION, ELECTRICITY STORAGE DEVICE USING SAME, AND BIPHENYL GROUP-CONTAINING CARBONATE COMPOUND USED IN SAME BMI1, KCNN2, CACNA2D4 ALDH1A1 2588/4885CYP3A4 715/4885CA2 34/4885

“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.

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