SCHEMBL286687

SCHEMBL286687

COc1cc(C(C)(C)CO)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.47
PGR P06401 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
IDH1 O75874 1/20 0.41
CACNA1H O95180 1/20 0.40
IMPDH2 P12268 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL4623317 0.83 AR (0.50) ARPGRALDH1A1KDM4EUSP2
SCHEMBL3275792 0.79 CNR1 (0.47) CASP1HSD17B10
SCHEMBL5656320 0.78 AR (0.50) ARPGRALDH1A1KDM4EUSP2
SCHEMBL299402 0.77 AR (0.45) ARPGRALDH1A1KDM4EUSP2
SCHEMBL5355611 0.77 ALDH1A1 (0.47) ARPGRALDH1A1KDM4EUSP2
SCHEMBL286592 0.76 CNR2 (0.54) ARPGRALDH1A1CACNA1HIMPDH2
SCHEMBL5367048 0.75 AR (0.46) ARPGRALDH1A1KDM4EUSP2
SCHEMBL2786569 0.75 AR (0.58) ARPGRALDH1A1KDM4EUSP2
SCHEMBL10267017 0.73 ALDH1A1 (0.58) ARALDH1A1KDM4EUSP2IDH1
SCHEMBL13547923 0.72 AR (0.51) ARPGRALDH1A1KDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2632465-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-30 EP disclosed
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9073882-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-07-07 US disclosed
US-9018211-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2015-04-28 US disclosed
US-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2014-05-22 US disclosed
US-8673920-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2014-03-18 US disclosed
EP-2632465-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2013-09-04 EP disclosed
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2013-08-29 US disclosed
WO-2012058116-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
EP-2427444-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
WO-2010129379-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2010-11-11 WO disclosed
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME LLC 2010-11-11 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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885PGR 2907/4885ALDH1A1 1376/4885
US-20130225561-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885PGR 2907/4885ALDH1A1 1376/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 AR 2433/4885PGR 2907/4885ALDH1A1 1376/4885

“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.