SCHEMBL6429960

SCHEMBL6429960

COC(=O)c1c(Cl)cccc1[Si](C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 4/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 3/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ABL1 P00519 2/20 0.43
SRC P12931 2/20 0.43
NR4A2 P43354 3/20 0.42
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL517538 0.83 CA12 (0.61) POLBCA12CA1CA2CA7
SCHEMBL8528983 0.81 JAK2 (0.39) POLBALDH1A1GAALMNARAB9A
SCHEMBL6430433 0.80 ALDH1A1 (0.63) POLBALDH1A1GAALMNATSHR
SCHEMBL29445387 0.80 CA12 (0.53) POLBCA12CA1CA2CA7
SCHEMBL6428445 0.80 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7671969 0.80 CA12 (0.53) POLBCA12CA1CA2CA7
SCHEMBL6428937 0.79 DOT1L (0.50) POLBALDH1A1GAAABL1RAB9A
SCHEMBL7852285 0.79 TSHR (0.43) POLBALDH1A1GAAMEN1KMT2A
SCHEMBL7218124 0.79 TSHR (0.51) POLBALDH1A1TSHRRAB9AMAPT
SCHEMBL7219663 0.79 ALDH1A1 (0.45) POLBALDH1A1GAALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924396-B2 α-haloenamine reagents PHARMACIA CORPORATION (US) 2005-08-02 US disclosed
CN-1561326-A Alpha-haloenamine reagents PHARMACIA CORP (US) 2005-01-05 CN disclosed
EP-1421056-A1 (ALPHA)-HALOENAMINE REAGENTS Pharmacia Corporation (US) 2004-05-26 EP disclosed
US-20040092770-A1 Alpha-haloenamine reagents PHARMACIA CORPORATION 2004-05-13 US disclosed
US-6677487-B2 COMBINING A TERTIARY AMIDE WITH A PENTAVALENT PHOSPHOROUS HALIDE IN A SOLVENT TO FORM AN ALPHA - HALOIMINIUM SALT AND CONVERTING THE ALPHA -HALOIMINIUM SALT TO THE ALPHA -HALOENAMINE WITH A BASE PHARMACIA CORPORATION 2004-01-13 US disclosed
US-20030080320-A1 Alpha- haloenamine reagents PHARMACIA CORPORATION 2003-05-01 US disclosed
WO-2003020684-A1 (ALPHA)-HALOENAMINE REAGENTS PHARMACIA CORPORATION (US) 2003-03-13 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 (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-20030080320-A1 Alpha- haloenamine reagents HNMT, HDHD5, NISCH POLB 2400/4885CA12 634/4885CA1 371/4885
US-20040092770-A1 Alpha-haloenamine reagents HNMT, HDHD5, NISCH POLB 2400/4885CA12 634/4885CA1 371/4885

“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.