SCHEMBL428797

SCHEMBL428797

C=CCN(CC=C)CC=C.C=CCNCC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
MAPT P10636 2/20 0.36
ABCC4 O15439 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
EYA2 O00167 1/20 0.34
APP P05067 1/20 0.34
ACE P12821 1/20 0.34
ALOX15 P16050 2/20 0.33
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.33
CHRM2 P08172 1/20 0.33
ADRA2A P08913 1/20 0.33
DRD1 P21728 1/20 0.33

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
SCHEMBL29438 0.87
SCHEMBL3946913 0.87 MAPT (0.44) KDM4EMAPTABCC4KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL4732743 0.85
Ammonia Solution, Strong SCHEMBL28182267 0.85
Water SCHEMBL7160929 0.85
SCHEMBL7184515 0.85
SCHEMBL10869584 0.85
Oxalic Acid SCHEMBL28044433 0.83 MAPT (0.41) KDM4EMAPTABCC4KMT2ASMN1; SMN2
SCHEMBL5826308 0.82 KDM4E (0.38) KDM4EMAPTABCC4KMT2AMEN1
Hydrochloric Acid SCHEMBL2050506 0.81 KDM4E (0.37) KDM4EMAPTABCC4KMT2AMEN1

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-8334412-B2 Process for preparing 3-(methylthio)propanal SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-18 US disclosed
US-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-26 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-20120022295-A1 PROCESS FOR PREPARING 3-(METHYLTHIO)PROPANAL PTMA, TMT1A, MGMT KDM4E 4468/4885MAPT 826/4885ABCC4 1793/4885

“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.