SCHEMBL18484173

SCHEMBL18484173

CC(C)(C)OC(=O)NCCCOCCOCCOCCCNC(=O)CCCC(=O)NCCCOCCOCCOCCCNC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 8/20 0.49
CA2 P00918 8/20 0.49
CA12 O43570 4/20 0.48
CA9 Q16790 4/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CYP3A4 P08684 1/20 0.45
CAPN1 P07384 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL13968020 0.94 MEN1 (0.49) TSHRTDP1MEN1GAAKMT2A
SCHEMBL18471596 0.94 TDP1 (0.48) TSHRTDP1MEN1GAAKMT2A
SCHEMBL31614631 0.91 TDP1 (0.48) TSHRTDP1MEN1GAAKMT2A
SCHEMBL12341824 0.91 TDP1 (0.50) TSHRTDP1MEN1GAAKMT2A
SCHEMBL21065333 0.90 TDP1 (0.62) TDP1MEN1GAAKMT2ACA1
SCHEMBL4527640 0.90 TDP1 (0.66) TSHRTDP1MEN1GAAKMT2A
SCHEMBL1509845 0.90 MEN1 (0.50) TSHRTDP1MEN1GAAKMT2A
SCHEMBL31614625 0.90 TDP1 (0.49) TSHRTDP1MEN1GAAKMT2A
SCHEMBL7745994 0.90 TDP1 (0.49) TSHRTDP1MEN1GAAKMT2A
SCHEMBL26040329 0.89 TDP1 (0.51) TSHRTDP1MEN1GAAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3133069-B1 BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF SHENZHEN YONGZE PHARMACEUTICAL CO LTD (CN) 2019-09-18 EP disclosed
US-9969753-B2 BCR-ABL diploid inhibitor, synthesizing method therefor, and uses thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2018-05-15 US disclosed
EP-3133069-A1 BCR-ABL DIPLOID INHIBITOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Chengdu University (CN) 2017-02-22 EP disclosed
US-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof SHENZHEN YONGZE PHARMACEUTICAL CO., LTD. (CN) 2017-02-09 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-20170037061-A1 BCR-ABL Diploid Inhibitor, Synthesizing Method Therefor, and Uses Thereof BCR, ABL1, BOD1L1 TSHR 3388/4885TDP1 1657/4885MEN1 3980/4885

“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.