SCHEMBL5168423

SCHEMBL5168423

COc1ccc(OCC#Cc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(C#CCOc4ccc(OC)c(OC)c4)s3)s2)cc1OC

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 2/20 0.31
PDE4B Q07343 2/20 0.31
PDE4C Q08493 2/20 0.31
PDE4D Q08499 2/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ALOX5 P09917 1/20 0.30
PSMB5 P28074 1/20 0.30
FDPS P14324 1/20 0.30
SNCA P37840 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
SCHEMBL5168874 0.89 TDP1 (0.32)
SCHEMBL6304466 0.89 TDP1 (0.32)
SCHEMBL5167290 0.89 GRM5 (0.37) KDM4EALDH1A1LMNA
SCHEMBL5166310 0.85 EGLN1 (0.33)
SCHEMBL5167356 0.84 MAOB (0.33) KDM4EALDH1A1LMNAMAPT
SCHEMBL5168902 0.72 RAB9A (0.33)
Maleic Acid SCHEMBL5168413 0.71 LTB4R (0.36) HIF1AKDM4EALDH1A1HPGDLTB4R
Fumaric Acid SCHEMBL5168429 0.71 LTB4R (0.36) HIF1AKDM4EALDH1A1HPGDLTB4R
Hydrochloric Acid SCHEMBL6309126 0.71 MAPK1 (0.39) ALDH1A1
SCHEMBL6310339 0.66 MEN1 (0.37) ALDH1A1HPGDMAPTLTB4RLTB4R2

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-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

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-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A HIF1A 2134/4885KDM4E 675/4885ALDH1A1 129/4885

“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.