SCHEMBL21236823

SCHEMBL21236823

CCCC(C)(C)CC(=O)NCCNC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
ALDH1A1 P00352 3/20 0.34
EPHX1 P07099 1/20 0.33
KDM4E B2RXH2 5/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
CASP2 P42575 1/20 0.32
MCL1 Q07820 1/20 0.32
HSD17B10 Q99714 2/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
CNR1 P21554 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CACNA1H O95180 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL19177310 0.81 CASP2 (0.46) ALDH1A1EPHX1MEN1KMT2ACASP2
SCHEMBL19861218 0.80 ALDH1A1 (0.35) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL12660831 0.79 HPGD (0.41) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL21761154 0.77 ALDH1A1 (0.37) ALDH1A1TP53MEN1KMT2ALMNA
SCHEMBL24535363 0.77 CASP2 (0.53) POLBALDH1A1KMT2ACASP2HPGD
SCHEMBL21538183 0.77 MEN1 (0.56) POLBALDH1A1EPHX1KDM4EMEN1
SCHEMBL23378480 0.76 ALDH1A1 (0.30) ALDH1A1CNR1
SCHEMBL16316312 0.76 POLB (0.50) POLBALDH1A1EPHX1KDM4ETP53
SCHEMBL23017806 0.74 TDP1 (0.41) POLBALDH1A1KDM4EMEN1KMT2A
SCHEMBL2293893 0.74 KDM4C (0.48) POLBALDH1A1EPHX1KDM4ETP53

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-10548975-B2 Branched chimeric compounds, and methods of use thereof DYNAVAX TECHNOLOGIES CORPORATION (US) 2020-02-04 US disclosed
US-20190240323-A1 BRANCHED CHIMERIC COMPOUNDS, AND METHODS OF USE THEREOF DYNAVAX TECHNOLOGIES CORPORATION 2019-08-08 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 (2 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-20190240323-A1 BRANCHED CHIMERIC COMPOUNDS, AND METHODS OF USE THEREOF PAICS, PBK, HAVCR2 POLB 45/4885ALDH1A1 3972/4885EPHX1 3440/4885
US-10548975-B2 Branched chimeric compounds, and methods of use thereof PAICS, PBK, HAVCR2 POLB 45/4885ALDH1A1 3972/4885EPHX1 3440/4885

“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.