SCHEMBL5518932

SCHEMBL5518932

CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.O=S(=O)([O-])C(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.36
KCNH2 Q12809 7/20 0.33
RECQL P46063 2/20 0.30
GLA P06280 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
EPHX2 P34913 1/20 0.30
BLM P54132 1/20 0.30
CES1 P23141 4/20 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
SCHEMBL5077002 0.95 DNM1 (0.31) DNM1
SCHEMBL1736138 0.92 DNM1 (0.38) DNM1KCNH2RECQLGLAHPGD
SCHEMBL1735953 0.86 DNM1 (0.32) DNM1KCNH2
SCHEMBL1735074 0.86 DNM1 (0.40) DNM1KCNH2RECQLGLAHPGD
SCHEMBL5597592 0.83 DNM1 (0.30) DNM1
SCHEMBL357971 0.80 DNM1 (0.34) DNM1KCNH2
Potassium Ion SCHEMBL2196769 0.80
SCHEMBL358748 0.77 DNM1 (0.50) DNM1KCNH2RECQLGLAHPGD
SCHEMBL358624 0.76 DNM1 (0.44) DNM1KCNH2RECQLGLAHPGD
Trifluoromethanesulfonic Acid SCHEMBL2761030 0.75 DNM1 (0.54) DNM1KCNH2RECQLGLAHPGD

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-20070100181-A1 Olefin isomerization E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed
US-20070100184-A1 Alkylation of aromatic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2007-05-03 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20070100184-A1 Alkylation of aromatic compounds TYR, ALK, AHR DNM1 3341/4885KCNH2 1186/4885RECQL 4177/4885
US-20070100181-A1 Olefin isomerization OSBP, OXER1, ALOX12 DNM1 607/4885KCNH2 2857/4885RECQL 4088/4885

“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.