SCHEMBL286607

SCHEMBL286607

COc1cc(CCO)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
USP2 O75604 1/20 0.49
AR P10275 12/20 0.48
PGR P06401 1/20 0.47
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TAAR1 Q96RJ0 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2A P28223 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2786569 0.86 AR (0.58) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL14405827 0.85 AR (0.56) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL2731715 0.84 KCNJ1 (0.48) ALDH1A1KDM4EARKCNJ1KCNH2
SCHEMBL28460083 0.81 FFAR1 (0.57) ALDH1A1
SCHEMBL21222908 0.81 NPC1 (0.52) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL12188729 0.81 AR (0.55) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL15210068 0.80 KCNH2 (0.50) ALDH1A1KDM4EARKCNJ1KCNH2
SCHEMBL25077588 0.79 AR (0.50) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL7669160 0.79 AR (0.50) ALDH1A1KDM4EUSP2ARPGR
SCHEMBL6483428 0.79 KDM4E (0.51) ALDH1A1KDM4EUSP2ARPGR

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
EP-2427444-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2015-12-16 EP 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-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 (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-20140142115-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1376/4885KDM4E 1977/4885USP2 4693/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 ALDH1A1 1376/4885KDM4E 1977/4885USP2 4693/4885

“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.