SCHEMBL17536641

SCHEMBL17536641

C[Si](C)(C#Cc1cccc(C#C[Si](C)(C)c2ccccc2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRM1 Q13255 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
SCHEMBL17536630 0.91 FFAR1 (0.39) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17536636 0.90 APP (0.48) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17552563 0.88 GRM5 (0.50) GRM5NPC1RAB9ASMN1; SMN2TP53
SCHEMBL6365168 0.85 APP (0.48) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17552564 0.78 ALDH1A1 (0.42) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17536620 0.78 GRM5 (0.47) GRM5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17552568 0.78 CYP2A6 (0.44) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3947297 0.78 ESR1 (0.42) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL23867871 0.78 APP (0.50) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL17552567 0.77 GRM5 (0.37) GRM5NPC1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3189063-B1 BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS CALIFORNIA INST OF TECHN (US) 2019-08-14 EP disclosed
US-10072030-B2 Base-catalyzed silylation of terminal alkyne C—H bonds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-11 US disclosed
EP-3189063-A1 BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS California Institute of Technology (US) 2017-07-12 EP disclosed
US-20170088563-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS NATIONAL SCIENCE FOUNDATION 2017-03-30 US disclosed
US-20170088563-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS NATIONAL SCIENCE FOUNDATION 2017-03-30 US disclosed
US-9556206-B2 Base-catalyzed silylation of terminal alkyne C—H bonds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
US-9556206-B2 Base-catalyzed silylation of terminal alkyne C—H bonds CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-01-31 US disclosed
WO-2016036685-A1 BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-03-10 WO disclosed
WO-2016036685-A1 BASE-CATALYZED SILYLATION OF TERMINIAL ALKYNE C-H BONDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-03-10 WO disclosed
US-20160060278-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-03-03 US disclosed
US-20160060278-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-03-03 US disclosed
US-20160060278-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-03-03 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 (3 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-20160060278-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS ALKBH3, CA3, ALKBH2 GRM5 3797/4885NPC1 1295/4885RAB9A 3540/4885
US-20170088563-A1 BASE-CATALYZED SILYLATION OF TERMINAL ALKYNE C-H BONDS ALKBH3, CA3, ALKBH2 GRM5 4034/4885NPC1 1349/4885RAB9A 3558/4885
US-10072030-B2 Base-catalyzed silylation of terminal alkyne C—H bonds ALKBH3, CA3, ALKBH2 GRM5 4027/4885NPC1 1351/4885RAB9A 3522/4885

“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.