SCHEMBL5168910

SCHEMBL5168910

COc1ccc(OCC#Cc2ccc(CCC(C)(N)CO)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.39
ALDH1A1 P00352 9/20 0.39
GRM5 P41594 3/20 0.39
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
POLB P06746 1/20 0.31
MAOB P27338 1/20 0.30
AOC3 Q16853 1/20 0.30
MEN1 O00255 1/20 0.30
CASR P41180 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL383663 0.92 GRM5 (0.35) KDM4EALDH1A1GRM5LMNA
SCHEMBL385727 0.91 GRM5 (0.40) KDM4EALDH1A1GRM5EGLN1
SCHEMBL5169606 0.90 ALOX5 (0.36) GRM5EGLN1
SCHEMBL385420 0.90 GRM5 (0.40) KDM4EALDH1A1GRM5KMT2ATDP1
SCHEMBL5168915 0.90 KCNH2 (0.39) KDM4EALDH1A1GRM5
SCHEMBL386989 0.89 GRM5 (0.45) KDM4EALDH1A1GRM5LMNAEGLN1
SCHEMBL5167538 0.89 DPP4 (0.36) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL385248 0.89 EGLN1 (0.35) KMT2ATDP1EGLN1
SCHEMBL385486 0.88 MELK (0.33) GRM5
SCHEMBL385893 0.88 MAOB (0.34) GRM5MAOBAOC3

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 KDM4E 675/4885ALDH1A1 129/4885GRM5 982/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KDM4E 675/4885ALDH1A1 129/4885GRM5 982/4885

“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.