SCHEMBL14786372

SCHEMBL14786372

Cc1cc(OC(C)(C)C)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.40
HTT P42858 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
EGFR P00533 1/20 0.35
ABL1 P00519 1/20 0.35
SRD5A1 P18405 1/20 0.34
AR P10275 1/20 0.34
RXRA P19793 1/20 0.34

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
SCHEMBL5127944 0.83 RXRB (0.49) HTTRXRA
SCHEMBL14966709 0.81 SRD5A2 (0.48) PPARGPPARDPPARACYP2C9CYP2C19
SCHEMBL12301378 0.81 KMT2A (0.44) HTTCYP2C9CYP2C19NPSR1
SCHEMBL15953900 0.80 EGFR (0.38) ELANEPPARGPPARAEGFRABL1
SCHEMBL25143250 0.79 EGFR (0.48) CA12CA1CA2CA9CA14
SCHEMBL16138865 0.79 GABRA1 (0.46) CA12CA1CA2CA9CA14
SCHEMBL12458913 0.79 EGFR (0.39) ELANECA12CA1CA2CA9
SCHEMBL14782761 0.78 EGFR (0.37) ELANEEGFRABL1RXRANR1H2
SCHEMBL14966330 0.78 GABRA1 (0.44) CA12CA1CA2CA9CA14
SCHEMBL14785529 0.78 MYC (0.44) CA12CA1CA2CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9527830-B2 Inhibitors of the renal outer medullary potassium channel MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2755656-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel MERCK SHARP & DOHME LLC 2014-08-21 US disclosed
EP-2755656-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL Merck Sharp & Dohme Corp. (US) 2014-07-23 EP disclosed
WO-2013039802-A1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME CORP. (US) 2013-03-21 WO 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 (1 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-20140235628-A1 Inhibitors of the Renal Outer Medullary Potassium Channel KCNJ11, KCNJ1, KCNJ2 ELANE 3379/4885HTT 3484/4885CA12 4645/4885

“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.