SCHEMBL16559558

SCHEMBL16559558

CC(=O)/C=C(\C)NCC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL2189470 0.79 KDM4E (0.36) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL8666230 0.79 KDM4E (0.36) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL3074210 0.77
SCHEMBL3074211 0.77
SCHEMBL11748394 0.73 MMP1 (0.41) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL28792604 0.73 ALDH1A1 (0.39) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL11748399 0.73 MMP1 (0.41) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL29308972 0.73 ALDH1A1 (0.39) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL9206174 0.71 MCL1 (0.35) TDP1KDM4EGAAMAPTKMT2A
SCHEMBL2952595 0.71 CYP2D6 (0.50) GAAMAPTKMT2AALDH1A1

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-9126896-B2 Synthesis of diamido gellants by using Dane salts of amino acids EVONIK INDUSTRIES AG (DE) 2015-09-08 US disclosed
US-20150073172-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS EVONIK TECHNOCHEMIE GMBH (DE) 2015-03-12 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-20150073172-A1 SYNTHESIS OF DIAMIDO GELLANTS BY USING DANE SALTS OF AMINO ACIDS DAO, PDIA6, BCAT1 TDP1 2297/4885KDM4E 1727/4885GAA 4206/4885

“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.