SCHEMBL21788005

SCHEMBL21788005

CCC(=O)N(C(C)C)N(C(=O)CC)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
SOAT1 P35610 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32
MCL1 Q07820 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL4146905 0.77 ALDH1A1 (0.37) ALDH1A1TDP1FFAR3PKMLMNA
SCHEMBL10289820 0.77 ALDH1A1 (0.35) ALDH1A1TDP1FFAR3APAF1NPC1
SCHEMBL13660007 0.74
SCHEMBL18907821 0.74
SCHEMBL740201 0.74
SCHEMBL22198342 0.72
SCHEMBL21929479 0.72
Hydrochloric Acid SCHEMBL27315953 0.72 ACACB (0.36) ALDH1A1TDP1FFAR3APAF1NPC1
SCHEMBL2370131 0.72 ALDH1A1 (0.37) ALDH1A1TDP1FFAR3APAF1NPC1
SCHEMBL24429233 0.70 APAF1 (0.34) ALDH1A1TDP1FFAR3APAF1NPC1

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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE HANGZHOU DAC BIOTECH CO., LTD. (CN) 2020-03-05 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-20200069814-A1 CONJUGATION OF A CYTOTOXIC DRUG WITH BIS-LINKAGE CD4, MCL1, CCNB1 ALDH1A1 1130/4885TDP1 1199/4885FFAR3 4700/4885

“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.