SCHEMBL5217028

SCHEMBL5217028

C[C](C)CC(=O)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.54
CES2 O00748 1/20 0.54
AKR1B1 P15121 1/20 0.54
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
EPHX2 P34913 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45

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
SCHEMBL1535041 0.87 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL51367 0.86 CES1 (0.64) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL30293214 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL8748892 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL27976185 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL31412115 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28533260 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
Cesium SCHEMBL9566054 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28016131 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28232885 0.85 CES1 (0.52) CES1CES2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
US-20040192697-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-09-30 US disclosed
US-20040122218-A1 Pyrrolopyridine potassium channel openers ABBOTT LABORATORIES 2004-06-24 US 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-20030199578-A1 Naphthalene amides as potassium channel openers ABBOTT LABORATORIES 2003-10-23 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
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 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 (6 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 CES1 736/4885CES2 2157/4885AKR1B1 305/4885
US-20040122218-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 CES1 2261/4885CES2 3547/4885AKR1B1 605/4885
US-20030199578-A1 Naphthalene amides as potassium channel openers KCNJ2, KCNN2, KCNJ1 CES1 2560/4885CES2 1510/4885AKR1B1 466/4885
US-20020147230-A1 Aminal Diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CES1 1642/4885CES2 2933/4885AKR1B1 123/4885
US-20040192697-A1 Pyrrolopyridine potassium channel openers KCNJ2, KCNN1, KCNN2 CES1 2261/4885CES2 3547/4885AKR1B1 605/4885
US-20020165264-A1 Aminal diones as potassium channel openers KCNJ2, KCNJ11, KCNH1 CES1 1642/4885CES2 2933/4885AKR1B1 123/4885

“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.