SCHEMBL6942546

SCHEMBL6942546

COc1ccc(C(=C(C)Br)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 2/20 0.57
MAPK1 P28482 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ESR1 P03372 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADRA1A P35348 1/20 0.57
HIF1A Q16665 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA12 O43570 1/20 0.50

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
SCHEMBL2957320 0.83 ALDH1A1 (0.70) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL7380551 0.75 CA1 (0.61) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL1987861 0.75 CA1 (0.61) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL2180036 0.74 CES2 (0.67) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL30741457 0.74 CES2 (0.69) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL68051 0.74 CES2 (0.69) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL12399066 0.74 ACHE (0.71) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL68050 0.74 CES2 (0.69) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL22773016 0.74 TSHR (0.72) MAPTSMN1; SMN2LMNAMAPK1NPSR1
SCHEMBL28159813 0.74 MAPT (0.55) MAPTSMN1; SMN2LMNAMAPK1NPSR1

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 MAPT 4856/4885SMN1; SMN2 4274/4885LMNA 4620/4885

“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.