SCHEMBL4007241

SCHEMBL4007241

O=C([O-])CC(F)(F)F.O=C([O-])CC(F)(F)F.O=C([O-])CC(F)(F)F.[In+3]

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA4 P22748 3/20 0.50
CASP1 P29466 1/20 0.40
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR3 O14843 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
CA2 P00918 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
Lithium Ion SCHEMBL655224 0.94
SCHEMBL3172597 0.94 CA4 (0.50) CA4CASP1ALDH1A1POLBSMN1; SMN2
SCHEMBL508199 0.94
Potassium Ion SCHEMBL5325780 0.94
Silver SCHEMBL1533990 0.94
SCHEMBL28665122 0.75 CA4 (0.50) CA4CASP1ALDH1A1POLBSMN1; SMN2
SCHEMBL2392558 0.73 CA4 (0.36) CA4
Citric Acid SCHEMBL235474 0.73 CA4 (0.89) CA4CASP1ALDH1A1
Trifluoroacetic Acid SCHEMBL1000366 0.72 CA4 (0.38) CA4CASP1ALDH1A1POLBSMN1; SMN2
SCHEMBL2892041 0.71 FAAH (0.40) CA4CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567478-B1 METHOD OF PRODUCING NITRILE COMPOUNDS FROM ETHYLENICALLY-UNSATURATED COMPOUNDS RHODIA OPERATIONS (FR) 2009-10-21 EP claimed
US-7485741-B2 Method of producing nitrile compounds from ethylenically-unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-02-03 US claimed
US-20060142609-A1 Method of producing nitrile compounds from ethylenically-unsaturated compounds INVISTA NORTH AMERICA SARL 2006-06-29 US claimed
US-7485741-B2 Method of producing nitrile compounds from ethylenically-unsaturated compounds RHODIA POLYAMIDE INTERMEDIATES (FR) 2009-02-03 US disclosed
US-20060142609-A1 Method of producing nitrile compounds from ethylenically-unsaturated compounds INVISTA NORTH AMERICA SARL 2006-06-29 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-20060142609-A1 Method of producing nitrile compounds from ethylenically-unsaturated compounds FASN, FABP4, ALOX12 CA4 1598/4885CASP1 596/4885ALDH1A1 1458/4885

“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.