SCHEMBL5167290

SCHEMBL5167290

COc1cccc(OCC#Cc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(C#CCOc4cccc(OC)c4)s3)s2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.37
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
ACACB O00763 2/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ACACA Q13085 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
BTK Q06187 1/20 0.31
CACNA1F O60840 1/20 0.31
CACNA1D Q01668 1/20 0.31
CACNA1S Q13698 1/20 0.31
CACNA1C Q13936 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
SCHEMBL5168874 0.94 TDP1 (0.32) TDP1
SCHEMBL6304466 0.94 TDP1 (0.32) TDP1
SCHEMBL5168423 0.89 HIF1A (0.32) LMNAALDH1A1KDM4E
SCHEMBL6310914 0.84 EGLN1 (0.37) GRM5ACACBEGLN1ACACATDP1
SCHEMBL5167356 0.83 MAOB (0.33) LMNAALDH1A1KDM4E
Fumaric Acid SCHEMBL5167292 0.71 GRM5 (0.39) GRM5MTNR1AMTNR1BACACBEGLN1
Maleic Acid SCHEMBL5167283 0.71 GRM5 (0.39) GRM5MTNR1AMTNR1BACACBEGLN1
Hydrochloric Acid SCHEMBL6309126 0.69 MAPK1 (0.39) TSHRMAPK1ALDH1A1
SCHEMBL6310339 0.65 MEN1 (0.37) ALDH1A1L3MBTL1
SCHEMBL6774220 0.64 SMN1; SMN2 (0.42) LMNAMAPK1TDP1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
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 GRM5 982/4885MTNR1A 1025/4885MTNR1B 1395/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A GRM5 982/4885MTNR1A 1025/4885MTNR1B 1395/4885

“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.