SCHEMBL4683663

SCHEMBL4683663

C=CCOCC(CC)COCC=C

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
CA7 P43166 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 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
SCHEMBL13609270 0.95 CA1 (0.46) CA1CA2CA9CA7MEN1
SCHEMBL29152101 0.89 CA1 (0.39) CA1CA2CA9CA7MEN1
SCHEMBL17598959 0.88 CA1 (0.38) CA1CA2CA9CA7MEN1
SCHEMBL28273301 0.87 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL10709620 0.87 CA1 (0.44) CA1CA2CA9CA7MEN1
SCHEMBL27856666 0.87 CA1 (0.41) CA1CA2CA9CA7MEN1
SCHEMBL9943645 0.86 CA1 (0.37) CA1CA2CA9CA7MEN1
SCHEMBL7086367 0.84 CA1 (0.54) CA1CA2CA9CA7MEN1
SCHEMBL1564332 0.83 CYP3A4 (0.53) CA1CA2CA9CA7TSHR
SCHEMBL20202292 0.83 CA1 (0.38) CA1CA2CA9CA7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-6645968-B2 E.g., N-(1-((anilinocarbonyl)amino)-2,2,2-trichloroethyl)-4-methyl-benzamide; antiepileptic, -ischemic and cardiotonic agents; sexual, eating and urogenital disorders; asthma; migraines; ABBOTT LABORATORIES 2003-11-11 US disclosed
US-6495576-B2 N-(1-((3,4-DIOXO-2-(3-PYRIDINYLAMINO)-1-CYCLOBUTEN-1-YL)AMINO) -2,2-DIMETHYLPROPYL)-4-METHYLBENZAMIDE FOR EXAMPLE; TREATING BLADDER OVERACTIVITY, BENIGN PROSTATIC HYPERPLASIA, PREMATURE LABOR, AND SEXUAL DISORDERS ABBOTT LABORATORIES 2002-12-17 US disclosed
US-20020165264-A1 Aminal diones as potassium channel openers ABBOTT LABORATORIES 2002-11-07 US disclosed
US-20020147230-A1 Aminal Diones as potassium channel openers ABBOTT LABORATORIES 2002-10-10 US disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
US-4725646-A SAPONIFICATION OF A COPOLYMERIZED CARBOXYLIC ACID VINYL ESTER CROSSLINKED BY A POLYUNSATURATED POLYETHER-CONTAINING COMPOUND JAPAN EXLAN COMPANY, LIMITED (JP) 1988-02-16 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 (3 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CA1 667/4885CA2 369/4885CA9 3964/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CA1 1169/4885CA2 1569/4885CA9 4400/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CA1 1169/4885CA2 1569/4885CA9 4400/4885

“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.