SCHEMBL16848474

SCHEMBL16848474

CCCN=CC(C)(O)CC

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL16848476 0.80
SCHEMBL16848493 0.80
SCHEMBL17680445 0.74
SCHEMBL16848470 0.72
SCHEMBL16848486 0.70
SCHEMBL18843082 0.68
SCHEMBL16848462 0.68
SCHEMBL18843079 0.67
SCHEMBL16848450 0.67 MEN1 (0.31) KMT2A
SCHEMBL544797 0.64 TSHR (0.38) ALDH1A1

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-20180134739-A1 ALCOHOL COMPOUND ADEKA CORPORATION (JP) 2018-05-17 US disclosed
US-9896468-B2 Metal alkoxide compound, thin-film-forming material, method for producing thin film, and alcohol compound ADEKA CORPORATION (JP) 2018-02-20 US disclosed
US-20150175642-A1 METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING MATERIAL, METHOD FOR PRODUCING THIN FILM, AND ALCOHOL COMPOUND ADEKA CORPORATION (JP) 2015-06-25 US disclosed
US-20150175642-A1 METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING MATERIAL, METHOD FOR PRODUCING THIN FILM, AND ALCOHOL COMPOUND ADEKA CORPORATION (JP) 2015-06-25 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 (2 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-20150175642-A1 METAL ALKOXIDE COMPOUND, THIN-FILM-FORMING MATERIAL, METHOD FOR PRODUCING THIN FILM, AND ALCOHOL COMPOUND APOB, C9, AOC3 ALDH1A1 253/4885KMT2A 590/4885
US-20180134739-A1 ALCOHOL COMPOUND ADH1C, ADH1A, APOB ALDH1A1 66/4885KMT2A 641/4885

“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.