SCHEMBL21579901

SCHEMBL21579901

CC(C)(C)CCOCCC(=O)NCCOCCOCCOCCOCCC(=O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
TSHR P16473 1/20 0.33
PIK3CG P48736 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 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
SCHEMBL9972444 0.92 KMT2A (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL25890732 0.92 KMT2A (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL14453753 0.92 CA12 (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL24918920 0.92 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL24918878 0.92 MEN1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL26504466 0.91 KMT2A (0.35) MEN1KMT2ACA12CA1CA2
SCHEMBL21099929 0.91 KMT2A (0.39) MEN1KMT2ACA12CA1CA2
SCHEMBL26504470 0.87 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL20327867 0.86 EPHX2 (0.38) MEN1KMT2ACA12CA1CA2
SCHEMBL24918884 0.86 SMN1; SMN2 (0.39) MEN1KMT2ACA12CA1CA2

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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2019-11-21 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-20190351066-A1 PRODRUGS OF CYTOTOXIC ACTIVE AGENTS HAVING ENZYMATICALLY CLEAVABLE GROUPS LGMN, BUB1B, KIF15 MEN1 1456/4885KMT2A 2874/4885CA12 3256/4885

“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.