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Sugi Predict / Compounds / SCHEMBL3415082

SCHEMBL3415082

SCHEMBL3415082

CCOC(=O)CCc1cc(CCC(=O)N(C)C)c[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.46
▸ CYP4A11 Q02928 2/20 0.46
▸ CYP4Z1 Q86W10 1/20 0.38
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ P2RY12 Q9H244 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ FFAR1 O14842 1/20 0.33

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
SCHEMBL3420956 0.86 CYP4F2 (0.46) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3417813 0.84 ALDH1A1 (0.39) MAPTALDH1A1HSD17B10FFAR1
SCHEMBL3413597 0.84 ALOX5 (0.43) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3411511 0.83 CYP4F2 (0.44) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3417098 0.82 ALDH1A1 (0.44) SMN1; SMN2CYP2D6ALDH1A1HSD17B10
SCHEMBL3411576 0.81 PPARA (0.47) CYP4F2CYP4A11CYP4Z1SMN1; SMN2ALOX5
SCHEMBL13103023 0.79 CYP4F2 (0.40) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3668498 0.78 CYP4F2 (0.46) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3415090 0.78 HSD17B10 (0.38) CYP4F2CYP4A11ALDH1A1HSD17B10FFAR1
SCHEMBL9908182 0.76 CYP4F2 (0.51) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140186875-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSIS MONTANA STATE UNIVERSITY (US) 2014-07-03 — — US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — US disclosed
US-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES NATIONAL SCIENCE FOUNDATION 2010-10-07 — — US disclosed
EP-2164997-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES Montana State University (US) 2010-03-24 — — EP disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 — — WO disclosed
WO-2009005871-A2 NOVEL OPTICAL LABELING MOLECULES IN PROTEOMICS AND OTHER BIOLOGICAL ANALYSES MONTANA STATE UNIVERSITY (US) 2009-01-08 — — WO 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-20100252433-A1 NOVEL OPTICAL LABELING MOLECULES FOR PROTEOMICS AND OTHER BIOLOGICAL ANALYSES PTMS, CHAMP1, RAB5IF CYP4F2 3254/4885CYP4A11 4050/4885CYP4Z1 409/4885

“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.