SCHEMBL3394318

SCHEMBL3394318

CCCCCCP(CCCCCC)CCCCCC.O=S(=O)(O)C(F)(F)C(F)OC(F)(F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.33
EPHX1 P07099 1/20 0.33
FAAH O00519 3/20 0.31
CES2 O00748 2/20 0.31

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
SCHEMBL3646926 0.82 CES1 (0.33) CES1
SCHEMBL357196 0.79 ALDH1A1 (0.30)
SCHEMBL2047142 0.77
Trifluoromethanesulfonic Acid SCHEMBL28628196 0.76 EPHX1 (0.48) CES1EPHX1FAAHCES2
SCHEMBL1736138 0.74 DNM1 (0.38) CES1EPHX1
SCHEMBL3643529 0.72 EPHX1 (0.32) EPHX1
SCHEMBL1735953 0.70 DNM1 (0.32)
Sulfuric Acid SCHEMBL27639647 0.70 TP53 (0.45) CES1EPHX1FAAHCES2
SCHEMBL4965422 0.69
Trifluoromethanesulfonic Acid SCHEMBL3010389 0.69 EPHX1 (0.42) CES1EPHX1FAAHCES2

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-20090292126-A1 Ionic Liquids E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-11-26 US claimed
WO-2010065606-A2 PROCESS FOR FERMENTIVE PREPARATION OF ALCOHOLS AND RECOVERY OF PRODUCT E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-10 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-20090292126-A1 Ionic Liquids INF2, MOGAT2, FLI1 CES1 196/4885EPHX1 857/4885FAAH 639/4885

“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.