SCHEMBL2546945

SCHEMBL2546945

CCC(C(C)=O)=C(CC)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX15 P16050 2/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
FFAR3 O14843 1/20 0.33
TSHR P16473 1/20 0.32
THPO P40225 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
SCHEMBL6643500 1.00 TDP1 (0.40) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL8688580 0.88 TDP1 (0.41) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL1831176 0.88 TDP1 (0.41) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL1831174 0.88 TDP1 (0.41) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL5253704 0.82
SCHEMBL31240768 0.81 TDP1 (0.38) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL3355792 0.80
SCHEMBL15948049 0.80
Ammonia Solution, Strong SCHEMBL20210811 0.80 TDP1 (0.42) TDP1ALDH1A1ALOX15LMNABLM
SCHEMBL5404918 0.78 LDHA (0.42) TDP1ALDH1A1ALOX15LMNABLM

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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-1449835-A2 Alpha-substituted pyrimidine-thioalkyl and alkylether compounds PHARMACIA & UPJOHN COMPANY (US) 2004-08-25 EP 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT TDP1 3952/4885ALDH1A1 153/4885ALOX15 63/4885

“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.