SCHEMBL265501

SCHEMBL265501

O=C(O)CCC(=O)NN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
PHF8 Q9UPP1 5/20 0.43
KDM2A Q9Y2K7 5/20 0.43
KDM5C P41229 3/20 0.43
EGLN1 Q9GZT9 3/20 0.43
KDM6B O15054 1/20 0.43
FOLH1 Q04609 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LIPE Q05469 1/20 0.38
POLB P06746 1/20 0.38
GNAI3 P08754 1/20 0.38

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
SCHEMBL4411873 0.98 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL16353590 0.80 CA12 (0.50) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL265358 0.80 GLA (0.48) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL23375057 0.80 PHF8 (0.43) ALDH1A1KDM4ESMN1; SMN2TP53PHF8
SCHEMBL271770 0.80 HTT (0.41) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL493880 0.79 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL3878624 0.79 HTT (0.43) ALDH1A1KDM4ETP53HTTL3MBTL1
SCHEMBL2364252 0.79 TP53 (0.50) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL15055257 0.79 HTT (0.43) ALDH1A1KDM4ESMN1; SMN2TP53HTT
SCHEMBL15055190 0.79 HTT (0.43) ALDH1A1KDM4ESMN1; SMN2TP53HTT

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-8133888-B2 Hydrazide containing taxane conjugates SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-03-13 US disclosed
US-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2011-07-14 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-20110172226-A1 NOVEL HYDRAZIDE CONTAINING TAXANE CONJUGATES H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-3, H1-5 ALDH1A1 43/4885KDM4E 2897/4885SMN1; SMN2 2189/4885

“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.