SCHEMBL6935603

SCHEMBL6935603

CC(Br)=C(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PTPN1 P18031 1/20 0.41
METTL3 Q86U44 1/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
LMNA P02545 1/20 0.41
PTBP1 P26599 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HTR7 P34969 1/20 0.36
MAPT P10636 1/20 0.36
ALOX5 P09917 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL2172683 0.80 CES2 (0.44) CES2CES1PTPN1METTL3CA1
SCHEMBL2172686 0.80 CES2 (0.44) CES2CES1PTPN1METTL3CA1
SCHEMBL6932655 0.74 ESR1 (0.48) CES2CES1METTL3PTGS2ESR1
SCHEMBL8828839 0.73 CES2 (0.52) CES2CES1PTPN1METTL3CA1
SCHEMBL21281501 0.73 CES2 (0.52) CES2CES1PTPN1METTL3CA1
SCHEMBL1515113 0.73 CES2 (0.52) CES2CES1PTPN1METTL3CA1
SCHEMBL8828837 0.73 CES2 (0.52) CES2CES1PTPN1METTL3CA1
SCHEMBL6937808 0.71 ALDH1A1 (0.52) CA2SMN1; SMN2NOS1NPC1RAB9A
SCHEMBL6942546 0.71 MAPT (0.57) CES2CES1CA1CA2LMNA
SCHEMBL9855767 0.71 PLOD2 (0.42) CES2CES1PTPN1METTL3CA1

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-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CES2 3946/4885CES1 3736/4885PTPN1 1140/4885

“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.