SCHEMBL5649841

SCHEMBL5649841

O=CNCCC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 6/20 0.58
ADH1A P07327 6/20 0.58
ADH7 P40394 5/20 0.58
ADH1C P00326 5/20 0.58
ADH4 P08319 3/20 0.58
SIGMAR1 Q99720 2/20 0.42
EPHX1 P07099 3/20 0.41
LMNA P02545 1/20 0.38
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
KMT2A Q03164 1/20 0.33
CA2 P00918 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
SCHEMBL302803 0.98 ADH1B (0.61) ADH1BADH1AADH7ADH1CADH4
SCHEMBL5646910 0.98 ADH1B (0.61) ADH1BADH1AADH7ADH1CADH4
SCHEMBL3020274 0.95
SCHEMBL1899269 0.90
SCHEMBL3024930 0.86 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL22104300 0.86 ADH1B (0.54) ADH1BADH1AADH7ADH1CADH4
SCHEMBL303075 0.85 ADH1B (0.57) ADH1BADH1AADH7ADH1CADH4
SCHEMBL304406 0.85 ADH1B (0.57) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8952319 0.83 SIGMAR1 (0.60) ADH1BADH1AADH7ADH1CADH4
SCHEMBL8861073 0.83 SIGMAR1 (0.60) ADH1BADH1AADH7ADH1CADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008127727-A1 BIARYL COMPOSITIONS AND METHODS FOR MODULATING A KINASE CASCADE KINEX PHARMACEUTICALS, LLC (US) 2008-10-23 WO disclosed
US-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 EP disclosed
US-4585774-A Aniline derivatives and cardiotonic composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0064878-B1 NOVEL ANILINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CARDIOTONIC COMPOSITIONS CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-07-24 EP disclosed
EP-0064878-A1 Novel aniline derivatives, process for preparing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 EP disclosed
US-4064135-A Certain thiazole-5-carboxamide compounds SYNTEX (U.S.A.) INC. (US) 1977-12-20 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 ADH1B 2746/4885ADH1A 2285/4885ADH7 2201/4885

“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.