SCHEMBL11912902

SCHEMBL11912902

CCC1(CC)COC(C)(C)OC1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 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
SCHEMBL18589278 0.85 KCNA4 (0.34) KCNA4KCNA1KCNAB1
SCHEMBL1108447 0.85 EPHX1 (0.42) EPHX1KCNA4KCNA1KCNAB1
SCHEMBL9788202 0.85 KCNA4 (0.30) KCNA4KCNA1KCNAB1
Methane SCHEMBL9788186 0.83 EPHX1 (0.41) EPHX1
SCHEMBL8327277 0.81 EPHX1 (0.34) EPHX1
SCHEMBL14890932 0.81 KCNA4 (0.32) KCNA4KCNA1KCNAB1
SCHEMBL15976129 0.79 KCNA4 (0.31) KCNA4KCNA1KCNAB1
SCHEMBL10015857 0.78 KCNA4 (0.32) KCNA4KCNA1KCNAB1
SCHEMBL20434892 0.77 POLB (0.38) EPHX1KCNA4KCNA1KCNAB1
SCHEMBL9788252 0.75

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
US-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC. 2016-11-24 US disclosed
US-9351964-B2 Methods for treating cancer and non-neoplastic conditions PTC THERAPEUTICS, INC. (US) 2016-05-31 US disclosed
US-8816099-B2 Polyfunctional polyoxyalkylene compound, and producing method and intermediate thereof NOF CORPORATION (JP) 2014-08-26 US disclosed
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS PTC THERAPEUTICS, INC (US) 2012-08-09 US disclosed
US-20110245509-A1 POLYFUNCTIONAL POLYOXYALKYLENE COMPOUND, AND PRODUCING METHOD AND INTERMEDIATE THEREOF NOF CORPORATION (JP) 2011-10-06 US disclosed
US-7563291-B2 Demulsifiers for mixtures of middle distillates with fuel oils of vegetable or animal origin and water CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2009-07-21 US disclosed
EP-1584631-B1 Copolymerizable polyethylenglycol macromonomers, their preparation and use CLARIANT PRODUKTE DEUTSCHLAND (DE) 2008-11-12 EP 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-20160340354-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA EPHX1 3933/4885KCNA4 4839/4885KCNA1 4858/4885
US-20120202763-A1 METHODS FOR TREATING CANCER AND NON-NEOPLASTIC CONDITIONS HDGF, POLRMT, VEGFA EPHX1 3933/4885KCNA4 4839/4885KCNA1 4858/4885
US-20110245509-A1 POLYFUNCTIONAL POLYOXYALKYLENE COMPOUND, AND PRODUCING METHOD AND INTERMEDIATE THEREOF OXER1, ODC1, SQLE EPHX1 443/4885KCNA4 2772/4885KCNA1 1211/4885

“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.