SCHEMBL2233702

SCHEMBL2233702

COc1ccc(C#Cc2ccc3cc(C#N)ccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.53
HPGDS O60760 1/20 0.53
AR P10275 2/20 0.49
NQO1 P15559 1/20 0.49
SNCA P37840 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TDP2 O95551 1/20 0.41

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
SCHEMBL906936 0.86 NQO1 (0.62) HPGDSARNQO1SNCAKCNH2
SCHEMBL31499214 0.86 NQO1 (0.62) HPGDSARNQO1SNCAKCNH2
SCHEMBL9743076 0.86 APP (0.59) APPHPGDSNQO1KCNH2CYP1A1
SCHEMBL13863705 0.86 APP (0.63) APPHPGDSSNCAKCNH2MAOA
SCHEMBL13098025 0.84 CYP11B1 (0.51) HPGDSARNQO1SNCAMEN1
SCHEMBL6100448 0.83 NQO1 (0.59) HPGDSARNQO1SNCAKCNH2
SCHEMBL28291457 0.83 CYP1A2 (0.61) APPNQO1KCNH2CYP1A1CYP1B1
SCHEMBL9742321 0.81 APP (0.53) APPNQO1KCNH2
SCHEMBL7341254 0.81 AR (0.56) HPGDSARNQO1SNCAKCNH2
SCHEMBL25502755 0.80 GBA1 (0.50) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US claimed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP claimed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US claimed
JP-2010531821-A 2010-09-30 JP claimed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP claimed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 WO claimed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 WO disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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 (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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 APP 4703/4885HPGDS 3269/4885AR 1151/4885

“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.