SCHEMBL5701758

SCHEMBL5701758

C[Sn](C)(c1c(F)cc(F)cc1F)c1c(F)cc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA9 Q16790 1/20 0.30
ERN1 O75460 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
SCHEMBL5701891 0.82 RAPGEF4 (0.33) RAPGEF4CES2CES1ALDH1A1CA12
SCHEMBL5701821 0.71 CA1 (0.33) CES2CES1CA12CA1
SCHEMBL5702104 0.71 ACHE (0.39) CES2CES1ALDH1A1ERN1
SCHEMBL67360 0.65 RAPGEF4 (0.42) RAPGEF4CES2CES1ALDH1A1CA12
SCHEMBL2929573 0.65 CES2 (0.36) RAPGEF4CES2CES1ALDH1A1CA12
SCHEMBL12578957 0.63 CES2 (0.39) RAPGEF4CES2CES1ALDH1A1CA12
SCHEMBL531337 0.63 CES2 (0.52) RAPGEF4CES2CES1ALDH1A1CA12
Chloromethane SCHEMBL27844640 0.63 CES2 (0.46) RAPGEF4CES2CES1ALDH1A1CA12
Phosphine SCHEMBL28854043 0.63 CES2 (0.35) RAPGEF4CES2CES1ALDH1A1CA12
SCHEMBL5637066 0.61 TSHR (0.35)

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-1211256-B1 Method for purifying fluoroaryl metal compound NIPPON CATALYTIC CHEM IND (JP) 2006-08-02 EP disclosed
US-6509488-B2 Magnesium halide is precipitated and removed from solution containing fluoroaryl metal compound, magnesium halide, and ether solvent, or magnesium halide is removed by treating solution with acid NIPPON SHOKUBAI CO., LTD. (JP) 2003-01-21 US disclosed
EP-1211256-A2 Method for purifying fluoroaryl metal compound Nippon Shokubai Co., Ltd. (JP) 2002-06-05 EP disclosed
US-20020065425-A1 Method for purifying fluoroaryl metal compound NIPPON SHOKUBAI CO., LTD. (JP) 2002-05-30 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-20020065425-A1 Method for purifying fluoroaryl metal compound MLLT3, AFF2, AFF4 RAPGEF4 2395/4885CES2 2108/4885CES1 2877/4885

“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.