SCHEMBL286747

SCHEMBL286747

C=CCc1cc2c(c(OC)c1)C(=O)OC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.44
IMPDH2 P12268 1/20 0.44
PTGS1 P23219 2/20 0.43
ALOX5 P09917 1/20 0.43
AR P10275 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
PDE5A O76074 1/20 0.42
PDE4A P27815 1/20 0.42
PDE1A P54750 1/20 0.42
PDE1B Q01064 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
SCHEMBL286469 0.88 IMPDH2 (0.48) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2729231 0.79 KCNJ1 (0.36) CYP3A4ALDH1A1SMN1; SMN2KDM4EGAA
SCHEMBL12151397 0.79 IMPDH2 (0.65) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL286768 0.78 KDM4E (0.49) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL286593 0.78 KDM4E (0.49) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL29434781 0.73 KDM4E (0.71) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL2060122 0.73 KDM4E (0.71) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL9745795 0.72 ALDH1A1 (0.56) CYP3A4ALDH1A1SMN1; SMN2PPARGPPARD
SCHEMBL20231727 0.72 CYP3A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL31496832 0.72 CYP3A4 (0.53) CYP3A4ALDH1A1SMN1; SMN2KDM4ELMNA

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 CYP3A4 4249/4885ALDH1A1 1376/4885SMN1; SMN2 1651/4885
US-20100286123-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL KCNJ11, KCNJ1, KCNJ2 CYP3A4 4249/4885ALDH1A1 1376/4885SMN1; SMN2 1651/4885

“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.