SCHEMBL6304445

SCHEMBL6304445

Cc1ccc(OCC#Cc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(C#CCOc4ccc(C)c(C)c4)s3)s2)cc1C

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.31
TP53 P04637 2/20 0.31
ESR1 P03372 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
ESR2 Q92731 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACB O00763 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5166196 0.90 GRM5 (0.32)
SCHEMBL5168423 0.88 HIF1A (0.32)
SCHEMBL5168874 0.87 TDP1 (0.32) TDP1
SCHEMBL6304466 0.87 TDP1 (0.32) TDP1
SCHEMBL5167290 0.87 GRM5 (0.37) TDP1MAPK1L3MBTL1ACACB
SCHEMBL5166310 0.86 EGLN1 (0.33) ACACB
SCHEMBL5167356 0.86 MAOB (0.33) POLB
SCHEMBL5168902 0.85 RAB9A (0.33) MEN1KMT2A
SCHEMBL6767647 0.79 ALDH1A1 (0.42) TDP1MEN1KMT2A
SCHEMBL5169181 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885TP53 3586/4885ESR1 820/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A TDP1 3661/4885TP53 3586/4885ESR1 820/4885

“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.