SCHEMBL5166882

SCHEMBL5166882

COc1ccc(CC#Cc2ccc(CCC(C)(N)CO)s2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 2/20 0.35
CA2 P00918 2/20 0.35
AOC3 Q16853 1/20 0.34
STAT3 P40763 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.34
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL5168018 0.90 ATM (0.37) ATMKDM4ECYP19A1CYP1A2CYP3A4
SCHEMBL385486 0.84 MELK (0.33) CA2CA12CA1CA9
SCHEMBL6305276 0.83 DPP4 (0.34) CA2CA12CA1CA9
SCHEMBL6768055 0.82 ALOX5 (0.33)
SCHEMBL5165425 0.81 TUBB4A (0.37) CYP19A1AOC3
SCHEMBL5166740 0.79 TAAR1 (0.35) ATMKMT2AAOC3POLB
SCHEMBL5168147 0.79 ALOX5 (0.35) ALDH1A1GAA
SCHEMBL5166819 0.78 TUBB4A (0.33)
SCHEMBL386263 0.77 CALM1 (0.36)
SCHEMBL383663 0.77 GRM5 (0.35) KDM4EALDH1A1

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 ATM 1323/4885KDM4E 675/4885CYP19A1 1718/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A ATM 1323/4885KDM4E 675/4885CYP19A1 1718/4885

“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.