SCHEMBL21391424

SCHEMBL21391424

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.42
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.34
CYP3A4 P08684 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 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
SCHEMBL21391486 0.96 KDM5A (0.39) PAOXAPOBEC3AAPOBEC3GHRH3ALDH1A1
SCHEMBL21443839 0.94 PAOX (0.44) PAOXAPOBEC3AAPOBEC3GHRH3ALDH1A1
SCHEMBL13895469 0.86 TERT (0.37) PAOXAPOBEC3AAPOBEC3GALDH1A1CHRM2
SCHEMBL23569525 0.81 KDM5A (0.43) ALDH1A1LMNAKDM5AKDM4C
SCHEMBL800631 0.77 ALDH1A1 (0.39) PAOXALDH1A1KDM5AKDM4C
SCHEMBL1147864 0.77 PAOX (0.47) PAOXAPOBEC3AAPOBEC3GALDH1A1NPSR1
SCHEMBL17992598 0.75 CES2 (0.44) LMNAMEN1KMT2A
SCHEMBL1667685 0.75 CES2 (0.39) LMNAMEN1KMT2A
SCHEMBL18494886 0.75 CA1 (0.42) PAOXALDH1A1CHRM2CHRM4CHRM1
SCHEMBL149151 0.75 AKR1B1 (0.50) PAOXALDH1A1LMNAKDM5AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Cellix Bio Provate Limited (IN) 2021-03-18 US disclosed
US-10858349-B2 Compositions and methods for the treatment of cancer CELLIX BIO PRIVATE LIMITED (IN) 2020-12-08 US disclosed
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER CELLIX BIO PRIVATE LIMITED (IN) 2019-09-26 US disclosed
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON ALZHEIMER'S INSTITUTE OF AMERICA (US) 2015-12-10 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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 (5 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-20210078983-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 PAOX 3015/4885APOBEC3A 3139/4885APOBEC3G 896/4885
US-20190292171-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER SI, HBG2, HBG1 PAOX 3015/4885APOBEC3A 3139/4885APOBEC3G 896/4885
US-20150352108-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBK1 AND/OR IKK EPSILON TBK1, NFKBIA, CHUK PAOX 3492/4885APOBEC3A 2558/4885APOBEC3G 2083/4885
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB PAOX 3373/4885APOBEC3A 663/4885APOBEC3G 461/4885
US-10858349-B2 Compositions and methods for the treatment of cancer SI, HBG2, HBG1 PAOX 3015/4885APOBEC3A 3139/4885APOBEC3G 896/4885

“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.