SCHEMBL19682923

SCHEMBL19682923

C[C@@H]1CCCCCCC(C2CCCCCC(N)CCCC2)CCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
ACHE P22303 1/20 0.31
KMT2A Q03164 2/20 0.30
THRB P10828 1/20 0.30
MEN1 O00255 1/20 0.30
EPHX1 P07099 1/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL22879281 1.00 ALDH1A1 (0.40) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL19682937 1.00 ALDH1A1 (0.40) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL19490021 1.00 ALDH1A1 (0.40) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL21655703 1.00 ALDH1A1 (0.40) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL21335755 0.97 ALDH1A1 (0.42) ALDH1A1KMT2ATHRBMEN1
SCHEMBL21968004 0.97 ALDH1A1 (0.42) ALDH1A1KMT2ATHRBMEN1
SCHEMBL21335754 0.97 ALDH1A1 (0.42) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL22385134 0.97 ALDH1A1 (0.42) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL21577837 0.97 ALDH1A1 (0.42) ALDH1A1ACHEKMT2ATHRBMEN1
SCHEMBL19490020 0.95 ALDH1A1 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170349580-A1 DIHYDROINDOLIZINONE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2017-12-07 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-20170349580-A1 DIHYDROINDOLIZINONE DERIVATIVE CYP2C19, CYP4A22, CYP4A11 ALDH1A1 1113/4885ACHE 1934/4885KMT2A 2504/4885

“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.