SCHEMBL2138392

SCHEMBL2138392

CCCCCC(SCCCCC(C)F)C(=O)OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.39
MAPT P10636 2/20 0.35
CA1 P00915 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.33
FAAH O00519 1/20 0.32
SMPD1 P17405 3/20 0.30
ACE2 Q9BYF1 1/20 0.30
FDPS P14324 1/20 0.30

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
SCHEMBL2136668 0.99 EPHX1 (0.41) EPHX1MAPTZDHHC7FAAHSMPD1
SCHEMBL2133443 0.97 EPHX1 (0.36) EPHX1MAPTCA1
SCHEMBL2136848 0.97 EPHX1 (0.36) EPHX1MAPTCA1ZDHHC7FAAH
SCHEMBL2138286 0.96 EPHX1 (0.38) EPHX1MAPTCA1ZDHHC7FAAH
SCHEMBL2138383 0.94 EPHX1 (0.34) EPHX1MAPT
SCHEMBL2138402 0.93 EPHX1 (0.36) EPHX1MAPTZDHHC7FAAH
SCHEMBL2134166 0.93 EPHX1 (0.33) EPHX1CA1
SCHEMBL2136682 0.92 EPHX1 (0.39) EPHX1MAPTCA1ZDHHC7FAAH
SCHEMBL2133083 0.90 EPHX1 (0.41) EPHX1MAPTZDHHC7FAAHSMPD1
SCHEMBL2133600 0.90 EPHX1 (0.41) EPHX1MAPTZDHHC7FAAHSMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 EPHX1 2018/4885MAPT 4195/4885CA1 617/4885

“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.