SCHEMBL21391387

SCHEMBL21391387

CCC(=O)CCCN(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1147864 0.90 PAOX (0.47) PAOXAPOBEC3AAPOBEC3GALDH1A1NPSR1
SCHEMBL12086307 0.85 TDP1 (0.45) PAOXAPOBEC3AAPOBEC3GTDP1ALDH1A1
SCHEMBL1147352 0.83 PAOX (0.50) PAOXAPOBEC3AAPOBEC3GALDH1A1NPSR1
Iodomethane SCHEMBL10434545 0.81 TDP1 (0.41) PAOXAPOBEC3AAPOBEC3GTDP1ALDH1A1
SCHEMBL114396 0.80 KMT2A (0.57) PAOXTDP1ALDH1A1MAPTKMT2A
SCHEMBL115465 0.80 KMT2A (0.57) PAOXTDP1ALDH1A1MAPTKMT2A
SCHEMBL115642 0.80 KMT2A (0.57) PAOXTDP1ALDH1A1MAPTKMT2A
SCHEMBL736637 0.80 KMT2A (0.57) PAOXTDP1ALDH1A1MAPTKMT2A
SCHEMBL669931 0.78 TDP1 (0.43) PAOXTDP1ALDH1A1KDM5AKDM4C
SCHEMBL149151 0.78 AKR1B1 (0.50) PAOXTDP1ALDH1A1KDM5AKDM4C

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
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-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS WATERS TECHNOLOGIES CORPORATION (US) 2016-05-19 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 (4 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-20160139136-A1 RAPID FLUORESCENCE TAGGING OF GLYCANS AND OTHER BIOMOLECULES WITH ENHANCED MS SIGNALS FUT5, FUT6, CSGALNACT1 PAOX 3475/4885APOBEC3A 1052/4885APOBEC3G 479/4885
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.