SCHEMBL12902809

SCHEMBL12902809

CC(=O)CCC(=O)NCCCCCNC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
NAAA Q02083 1/20 0.44
HIF1A Q16665 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.40
KDM4A O75164 1/20 0.39
TET2 Q6N021 1/20 0.39
DOHH Q9BU89 1/20 0.39
ADRA1A P35348 1/20 0.39
FAAH O00519 2/20 0.39
TSHR P16473 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
PAOX Q6QHF9 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL19849367 0.87 ALDH1A1 (0.48) CASP2NAAAALDH1A1FAAHTSHR
SCHEMBL19880188 0.87 CASP2 (0.52) CASP2NAAAHIF1AKDM4EMAPK1
SCHEMBL19123954 0.84 CASP2 (0.69) CASP2NAAAMAPK1MEN1KMT2A
SCHEMBL12302054 0.83 CASP2 (0.55) CASP2NAAAHIF1AKDM4EMAPK1
SCHEMBL25453230 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1
SCHEMBL23729381 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1
SCHEMBL25453657 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1
SCHEMBL13311546 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1
SCHEMBL25090250 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1
SCHEMBL25453158 0.83 PAOX (0.52) HIF1AKDM4EMAPK1ALDH1A1MEN1

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-8476451-B2 Tubulysin D analogues THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-02 US disclosed
US-20110021568-A1 TUBULYSIN D ANALOGUES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-01-27 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-20110021568-A1 TUBULYSIN D ANALOGUES TEK, NGLY1, TEKT1 CASP2 3650/4885NAAA 2576/4885HIF1A 3275/4885

“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.