SCHEMBL17720728

SCHEMBL17720728

CCCCC(CC)COC(=O)Oc1c(-c2ccccc2)cccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ CYP3A4 P08684 3/20 0.55
▸ CA2 P00918 1/20 0.55
▸ LMNA P02545 3/20 0.51
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ MAPK1 P28482 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TSHR P16473 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.44
▸ RECQL P46063 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ SOAT1 P35610 2/20 0.36

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
SCHEMBL17720798 0.88 ALDH1A1 (0.55) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL30004044 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL20398567 0.83 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL11177661 0.82 ALDH1A1 (0.63) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL28023159 0.81 ALDH1A1 (0.62) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17720725 0.80 ELANE (0.56) ALDH1A1CYP3A4LMNAMAPK1L3MBTL1
SCHEMBL17720743 0.79 ELANE (0.51) ALDH1A1CYP3A4LMNAMAPK1L3MBTL1
Biphenyl SCHEMBL28032501 0.79 ALDH1A1 (0.67) ALDH1A1CYP3A4CA2LMNAPRSS1
SCHEMBL17703427 0.78 ELANE (0.50) ALDH1A1CYP3A4LMNAMAPK1TSHR
SCHEMBL17720721 0.78 ELANE (0.50) ALDH1A1CYP3A4LMNAMAPK1TSHR

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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