SCHEMBL2498593

SCHEMBL2498593

C[Si](C)(C)C#Cc1ccc(C=Cc2ccc[nH]2)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
FFAR1 O14842 1/20 0.31
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTGS2 P35354 1/20 0.30
CHEK1 O14757 1/20 0.30
NPC1 O15118 1/20 0.30
HTT P42858 1/20 0.30
GLO1 Q04760 1/20 0.30

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
SCHEMBL12192057 1.00 RAB9A (0.33) RAB9AMAPTALDH1A1L3MBTL1GABRA1
SCHEMBL6006591 0.82 FFAR1 (0.37) RAB9AMAPTGABRA1GABRG2GABRB3
SCHEMBL6006594 0.82 FFAR1 (0.37) RAB9AMAPTGABRA1GABRG2GABRB3
SCHEMBL2493751 0.76 MAPT (0.37) RAB9AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL11664002 0.70 MAPT (0.52) RAB9AMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2459013 0.70 MAPT (0.52) RAB9AMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2459012 0.70 MAPT (0.52) RAB9AMAPTL3MBTL1MAPK1SMN1; SMN2
SCHEMBL2464131 0.70 MAPT (0.52) RAB9AMAPTALDH1A1L3MBTL1MAPK1
SCHEMBL1306384 0.70 GABRA1 (0.38) RAB9AMAPTALDH1A1GABRA1GABRG2
SCHEMBL12192055 0.70 CYP2D6 (0.51) RAB9AMAPTALDH1A1L3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030482-B2 3-beta-tetrahydropyranyloxy-22-[4-(4,4-difluoro-1,3,5,7-tetramethyl-4-bora-3a,4a-diaza-s-indacene-8-yl)butyroxy]-23-bisnorchol-5-ene, used in fluorescence spectroscopy for monitoring exchange, distribution and trafficking of cholesterol between living cells and lipid domains in membranes RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2011-10-04 US disclosed
US-20080177059-A1 FREE CHOLESTEROL ANALOGS BEARING A BORON DIPYRROMETHENE DIFLUORO (BODIPY) FLUOROPHORE IN THE SIDE CHAIN AND METHOD OF PREPARATION AND USE THEREOF RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK 2008-07-24 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-20080177059-A1 FREE CHOLESTEROL ANALOGS BEARING A BORON DIPYRROMETHENE DIFLUORO (BODIPY) FLUOROPHORE IN THE SIDE CHAIN AND METHOD OF PREPARATION AND USE THEREOF NPC1L1, CETP, NPC1 RAB9A 747/4885MAPT 1365/4885ALDH1A1 4413/4885

“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.