SCHEMBL19854811

SCHEMBL19854811

CCCC/C(C=N)=N\CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 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
SCHEMBL26627281 0.65
SCHEMBL1933567 0.64
SCHEMBL9597258 0.64
SCHEMBL11766191 0.64 CES1 (0.38) CES1CES2ALDH1A1TP53LMNA
SCHEMBL1933566 0.64
SCHEMBL22181075 0.62 CES1 (0.36) CES1CES2ALDH1A1TP53CA1
SCHEMBL28392900 0.62 CES1 (0.37) CES1CES2ALDH1A1TP53CA1
SCHEMBL19846903 0.60
SCHEMBL1931595 0.60 CA1 (0.36) CES1CES2ALDH1A1TP53CA1
SCHEMBL3799681 0.60 CES1 (0.35) CES1CES2ALDH1A1TP53CA1

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-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND ADEKA CORPORATION (JP) 2018-02-08 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-20180037540-A1 DIAZADIENYL COMPOUND, RAW MATERIAL FOR FORMING THIN FILM, METHOD FOR PRODUCING THIN FILM, AND DIAZADIENE COMPOUND DRD4, DRD2, DRD1 CES1 3537/4885CES2 3017/4885ALDH1A1 4120/4885

“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.