SCHEMBL6310339

SCHEMBL6310339

Cc1ccc(OCCCc2ccc(C(N)C[C@@H](C)COC(=O)/C=C\C(=O)OC[C@H](C)CC(N)c3ccc(CCCOc4ccc(C)cc4)s3)s2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR84 Q9NQS5 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNH2 Q12809 2/20 0.32
HTT P42858 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
MCL1 Q07820 1/20 0.32
PPARA Q07869 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
DHFR P00374 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
Maleic Acid SCHEMBL6310333 0.69 MEN1 (0.39) MEN1KMT2AGPR84L3MBTL1HPGD
Fumaric Acid SCHEMBL6310342 0.69 MEN1 (0.39) MEN1KMT2AGPR84L3MBTL1HPGD
SCHEMBL6304466 0.67 TDP1 (0.32)
SCHEMBL5168874 0.67 TDP1 (0.32)
SCHEMBL5168423 0.66 HIF1A (0.32) MAPTHPGDALDH1A1LTB4RLTB4R2
SCHEMBL21496022 0.63 L3MBTL1 (0.51) MEN1KMT2AGPR84MAPTL3MBTL1
SCHEMBL27734501 0.61 LTA4H (0.55) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL27734498 0.61 LTA4H (0.55) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL19901327 0.60 MEN1 (0.52) MEN1KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL881472 0.59 L3MBTL1 (0.58) MEN1KMT2AMAPTL3MBTL1HPGD

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 MEN1 1906/4885KMT2A 1760/4885GPR84 1039/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MEN1 1906/4885KMT2A 1760/4885GPR84 1039/4885

“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.