SCHEMBL22508013

SCHEMBL22508013

CC(C)(C)OC(=O)NCCCOCCOCCOCNC(=O)CCl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 10/20 0.46
CA2 P00918 10/20 0.46
CA12 O43570 7/20 0.46
CA9 Q16790 7/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
EPHX1 P07099 1/20 0.40
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.36

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
SCHEMBL463171 0.94 TDP1 (0.53) TDP1MEN1GAAKMT2ACA1
SCHEMBL24391005 0.91 TDP1 (0.50) TDP1MEN1GAAKMT2ACA1
SCHEMBL21065333 0.87 TDP1 (0.62) TDP1MEN1GAAKMT2ACA1
SCHEMBL25755475 0.86 TDP1 (0.54) TDP1MEN1GAAKMT2ACA1
SCHEMBL21455790 0.84 TDP1 (0.47) TDP1MEN1GAAKMT2ACA1
SCHEMBL31614625 0.84 TDP1 (0.49) TDP1MEN1GAAKMT2ACA1
SCHEMBL22911493 0.83 TDP1 (0.54) TDP1MEN1GAAKMT2ACA1
SCHEMBL25756212 0.83 TDP1 (0.54) TDP1MEN1GAAKMT2ACA1
SCHEMBL31614631 0.83 TDP1 (0.48) TDP1MEN1GAAKMT2ACA1
SCHEMBL25123263 0.83 TDP1 (0.49) TDP1MEN1GAAKMT2ACA1

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-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-07-13 US disclosed
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-08 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-11059801-B2 Methods to induce targeted protein degradation through bifunctional molecules CRBN, XIAP, MDM2 TDP1 3884/4885MEN1 2152/4885GAA 1695/4885
US-20200317635-A1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES CRBN, MDM2, MYCBP TDP1 3319/4885MEN1 2073/4885GAA 1273/4885

“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.