SCHEMBL6370599

SCHEMBL6370599

CC(C)(C)c1ccc(CCCOCF)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
SIGMAR1 Q99720 5/20 0.45
MITF O75030 1/20 0.42
LMNA P02545 1/20 0.41
ESRRG P62508 1/20 0.40
NR1H4 Q96RI1 1/20 0.38
GRIA4 P48058 1/20 0.37
ACHE P22303 1/20 0.37
APP P05067 1/20 0.37
SLC13A5 Q86YT5 2/20 0.36

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
SCHEMBL8724971 0.81 KCNH2 (0.58) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL24811923 0.81 KCNH2 (0.53) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL8849490 0.81 KCNH2 (0.49) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL16770391 0.79 KCNH2 (0.55) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL31573982 0.78 KCNH2 (0.67) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL25590542 0.77 KCNH2 (0.53) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL23015030 0.77 KCNH2 (0.53) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL1789855 0.77 LMNA (0.50) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL2140584 0.77 KCNH2 (0.45) KCNH2SIGMAR1MITFLMNAESRRG
SCHEMBL793588 0.77 KCNH2 (0.50) KCNH2SIGMAR1MITFLMNAESRRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9029377-B2 Platelet-activating factor receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-05-12 US disclosed
US-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2012-05-03 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 (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-20120108595-A1 PLATELET-ACTIVATING FACTOR RECEPTOR ANTAGONISTS PTAFR, PAFAH1B2, PAFAH1B3 KCNH2 4046/4885SIGMAR1 2897/4885MITF 4215/4885

“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.