SCHEMBL4752158

SCHEMBL4752158

C=CC(=O)NCCCNC(C)=O

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ZDHHC20 Q5W0Z9 1/20 0.62
ZDHHC2 Q9UIJ5 1/20 0.62
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 1/20 0.56
HIF1A Q16665 1/20 0.56
ALDH1A1 P00352 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
PAOX Q6QHF9 3/20 0.47
ADRA1A P35348 1/20 0.45
GAA P10253 1/20 0.44
TGM2 P21980 2/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CBLB Q13191 1/20 0.37
GLA P06280 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2612183 0.96 ZDHHC20 (0.68) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL2612177 0.94 ZDHHC20 (0.71) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL22162999 0.94 ZDHHC20 (0.71) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL2612178 0.91 ZDHHC20 (0.55) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL1561467 0.89 ZDHHC20 (0.68) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL2612016 0.85 ZDHHC20 (0.51) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL19257256 0.85 ZDHHC20 (0.51) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL632264 0.84 ZDHHC20 (0.75) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A
SCHEMBL25367247 0.83 ZDHHC20 (0.81) ZDHHC20ZDHHC2MAPK1ALDH1A1TSHR
SCHEMBL111647 0.83 ZDHHC20 (0.62) ZDHHC20ZDHHC2MAPK1KDM4EHIF1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023144545-A1 SACCHARIDE SENSING SYSTEMS Carbometrics Limited (GB) 2023-08-03 WO disclosed
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-09-29 US disclosed
WO-2008118626-A9 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INST MEDICAL RESEARCH (US) 2008-12-18 WO disclosed
WO-2008118626-A2 INHIBITORS OF JNK AND METHODS FOR IDENTIFYING INHIBITORS OF JNK BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2008-10-02 WO 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-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP ZDHHC20 3660/4885ZDHHC2 3782/4885MAPK1 2714/4885

“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.