SCHEMBL6865029

SCHEMBL6865029

CC(C)(O)C#Cc1ccc(C#N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.45
CYP2A6 P11509 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CA12 O43570 1/20 0.44
CA3 P07451 1/20 0.44
CA6 P23280 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ASIC3 Q9UHC3 1/20 0.44
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALK Q9UM73 1/20 0.40
MAPT P10636 2/20 0.40
MMP3 P08254 1/20 0.40
ENPP2 Q13822 1/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
HAO1 Q9UJM8 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12391039 0.89 ASIC3 (0.50) ALDH1A1ASIC3LMNAL3MBTL1MAPT
SCHEMBL507497 0.82 KIF11 (0.48) KIF11CYP2A6CA2ALDH1A1CA12
SCHEMBL1795798 0.80 PDK1 (0.43) ASIC3ALKENPP2HAO1
SCHEMBL12711667 0.80 APP (0.47) CA2CA12CA3CA6CA9
SCHEMBL14268091 0.80 ASIC3 (0.49) CYP2A6CA2ALDH1A1CA12CA9
SCHEMBL18561130 0.78 MAPT (0.53) ALDH1A1ASIC3LMNAL3MBTL1MAPT
SCHEMBL700507 0.78 HTT (0.46) ASIC3LMNAL3MBTL1MAPTHAO1
SCHEMBL1571249 0.78 ASIC3 (0.44) ALDH1A1ASIC3LMNAL3MBTL1MAPT
SCHEMBL2117150 0.78 ASIC3 (0.41) ALDH1A1ASIC3LMNAL3MBTL1MAPT
SCHEMBL3448180 0.78 APP (0.54) ASIC3LMNAL3MBTL1MAPTHAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6805920-B2 For producing liquid crystal display (LCD) NITTO DENKO CORPORATION (JP) 2004-10-19 US disclosed
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-20030072893-A1 Polymerizable liquid crystal compound and optical film NITTO DENKO CORPORATION (JP) 2003-04-17 US 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
EP-0581272-B1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORP (JP) 1996-05-08 EP disclosed
US-5437815-A Blending with ordinary liquid crystal compounds broadens practical temperature range of composition and produces an enlarged double refraction anisotropy SEIKO EPSON CORPORATION (JP) 1995-08-01 US disclosed
US-5356558-A Compatibility, high speed response SEIKO EPSON CORPORATION (JP) 1994-10-18 US disclosed
EP-0581272-A1 Tolane derivatives, liquid crystal compositions containing the derivatives and liquid crystal display device using the compositions SEIKO EPSON CORPORATION (JP) 1994-02-02 EP disclosed
US-4322432-A Cyclopropanecarboxylic acid alkynyl esters, processes for producing them, and their use as pesticides CIBA-GEIGY CORPORATION (US) 1982-03-30 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-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 KIF11 2465/4885CYP2A6 1035/4885CA2 3780/4885

“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.