SCHEMBL5061779

SCHEMBL5061779

CCCCCCC(C)OC(=O)c1ccccc1N(C)C

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.70
▸ PRSS1 P07477 1/20 0.47
▸ PRSS2 P07478 1/20 0.47
▸ PRSS3 P35030 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 3/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ FAAH O00519 5/20 0.42
▸ SCN1A P35498 1/20 0.41
▸ SCN2A Q99250 1/20 0.41
▸ SCN3A Q9NY46 1/20 0.41
▸ CNR1 P21554 1/20 0.41

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
SCHEMBL29723317 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL1702480 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL1930571 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL9069200 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL21333932 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL31140049 0.87 ALDH1A1 (0.89) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL1014433 0.86 ALDH1A1 (0.86) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL31087985 0.84 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL649467 0.84 ALDH1A1 (0.49) ALDH1A1PRSS1PRSS2PRSS3KDM4E
SCHEMBL27673461 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EKMT2AL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080050398-A1 Composition Comprising Beta-Defensin 2 HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2008-02-28 — — 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-20080050398-A1 Composition Comprising Beta-Defensin 2 DLK1, DSG1, DBNL ALDH1A1 2395/4885PRSS1 1703/4885PRSS2 526/4885

“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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