SCHEMBL13628681

SCHEMBL13628681

CCNC(=O)C#CC12CC3CC(C1)CC(C14CC5CC(C1)CC(C16CC7CC(CC(C#CC(=O)NCC)(C7)C1)C6)(C5)C4)(C3)C2

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
EPHX2 P34913 5/20 0.34
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL13889171 0.99 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL13628680 0.94 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL13889172 0.92 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL13109259 0.84 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AEPHX2MAPT
SCHEMBL13637737 0.73 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13628679 0.71 EPHX2 (0.34) EPHX2
SCHEMBL13895392 0.71 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14388437 0.71 PKM (0.47) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13889170 0.69 EPHX2 (0.34) EPHX2
SCHEMBL13895393 0.69 PKM (0.48) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-7612155-B2 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2009-11-03 US disclosed
US-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device FUJIFILM CORPORATION (JP) 2007-11-01 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-20070255003-A1 Film forming composition, insulating film formed by use of the composition, and electronic device C1S, C1R, MLX ALDH1A1 4507/4885MEN1 21/4885KMT2A 1673/4885

“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.