SCHEMBL21391486

SCHEMBL21391486

CCN(CCCC(=O)C(C)C)CCCC(=O)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PAOX Q6QHF9 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HRH3 Q9Y5N1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
LMNA P02545 1/20 0.33
CES2 O00748 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 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
SCHEMBL21391424 0.96 PAOX (0.42) KDM5AKDM4CPAOXAPOBEC3AAPOBEC3G
SCHEMBL21443839 0.89 PAOX (0.44) KDM5AKDM4CPAOXAPOBEC3AAPOBEC3G
SCHEMBL13895469 0.82 TERT (0.37) PAOXAPOBEC3AAPOBEC3GALDH1A1CHRM2
SCHEMBL23569525 0.81 KDM5A (0.43) KDM5AKDM4CALDH1A1LMNACES2
SCHEMBL800631 0.77 ALDH1A1 (0.39) KDM5AKDM4CPAOXALDH1A1
SCHEMBL1667685 0.75 CES2 (0.39) LMNACES2
SCHEMBL17992598 0.75 CES2 (0.44) LMNACES2
SCHEMBL18494886 0.75 CA1 (0.42) KDM5AKDM4CPAOXALDH1A1CHRM2
SCHEMBL102831 0.74
SCHEMBL19911169 0.74 CA12 (0.32) CA12CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 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-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 KDM5A 2771/4885KDM4C 1898/4885PAOX 3015/4885

“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.