SCHEMBL25510325

SCHEMBL25510325

CC(C)(C)OC(=O)NCCCOCCNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
SIGMAR1 Q99720 4/20 0.41
DRD2 P14416 6/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL12705088 0.90 CACNA1H (0.53) CACNA1HALDH1A1KDM4EMEN1GAA
SCHEMBL16749992 0.83 CACNA1H (0.47) CACNA1HALDH1A1KDM4EMEN1GAA
SCHEMBL18545131 0.83 CACNA1H (0.47) CACNA1HALDH1A1KDM4EMEN1GAA
SCHEMBL16749955 0.83 CACNA1H (0.47) CACNA1HALDH1A1KDM4EMEN1GAA
SCHEMBL7127556 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1GAAKMT2A
SCHEMBL23869826 0.80 ALDH1A1 (0.47) CACNA1HALDH1A1KDM4EKMT2ATDP1
SCHEMBL23153012 0.80 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL14288943 0.80 KDM4E (0.60) ALDH1A1KDM4EKMT2ATDP1SIGMAR1
SCHEMBL24709383 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ATDP1
SCHEMBL27331967 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EMEN1KMT2ATDP1

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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION TAGWORKS PHARMACEUTICALS B.V. (NL) 2023-05-11 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-20230144534-A1 CLEAVABLE TETRAZINE USED IN BIO-ORTHOGONAL DRUG ACTIVATION KIT, TPSB2, BTD CACNA1H 1918/4885ALDH1A1 760/4885KDM4E 2183/4885

“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.