SCHEMBL6736730

SCHEMBL6736730

O=CCN(C(=O)OCC#CI)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GLA P06280 1/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 5/20 0.33
MEN1 O00255 4/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA2C P18825 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL8684866 0.78 SMN1; SMN2 (0.51) TSHRALDH1A1GLAL3MBTL1SMN1; SMN2
SCHEMBL8681132 0.78 ALDH1A1 (0.35) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL7960686 0.77 ALDH1A1 (0.47) ALDH1A1GLAHTTL3MBTL1TDP1
SCHEMBL28105597 0.77 ATM (0.38) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL4039977 0.74 ALDH1A1 (0.46) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL5132433 0.71 ALDH1A1 (0.48) TSHRALDH1A1GLAHTTSMN1; SMN2
SCHEMBL1974012 0.71 MEN1 (0.46) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL7751622 0.71 ADRA2C (0.56) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL28595329 0.70 CHRNB2 (0.36) TSHRALDH1A1GLAHTTL3MBTL1
SCHEMBL14397791 0.69 ALDH1A1 (0.46) TSHRALDH1A1GLAHTTL3MBTL1

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-6680065-B2 FOR TREATMENT OF WOODY PLANTS; EMPLOYED IN HOLLOW PREFORMED IN THE WOODY PLANT BAYER AKTIENGESELLSCHAFT (DE) 2004-01-20 US disclosed
US-6528079-B2 For treatment of woody plants; employed in a hollow preformed in the woody plant BAYER AKTIENGESELLSCHAFT (DE) 2003-03-04 US disclosed
US-6521653-B2 Microbicides in crop protection BAYER AKTIENGESELLSCHAFT (DE) 2003-02-18 US disclosed
US-20020107398-A1 Benzotriazoles ASSMANN LUTZ (DE) 2002-08-08 US disclosed
US-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2002-05-23 US disclosed
US-6380225-B1 AS MICROBICIDES IN CROP PROTECTION AND IN MATERIAL PROTECTION BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed
US-20010039248-A1 Shaped bodies which release agrochemical active substances PODSZUN WOLFGANG (DE) 2001-11-08 US disclosed
US-6172092-B1 FUNGICIDES, BACTERICIDES FOR CROPS; TREATING PLANT DISEASES; APPLYING TO WOOD, LEATHER, PLASTIC BAYER AKTIENGESELLSCHAFT (DE) 2001-01-09 US disclosed
US-5985903-A USE AS MICROBICIDES IN CROP PROTECTION AND IN MATERIAL PROTECTION; FUNGICIDES, BACTERICIDES, ALGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
US-5712304-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-01-27 US disclosed
US-5354777-A Cyanoalkene derivatives, process for their preparation, and their use as microbicide for the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 1994-10-11 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-20020061323-A1 SHAPED BODIES WHICH RELEASE AGROCHEMICAL ACTIVE SUBSTANCES AGL, CHMP4B, GUSB TSHR 4612/4885ALDH1A1 729/4885GLA 163/4885
US-20010039248-A1 Shaped bodies which release agrochemical active substances AGL, CHMP4B, GUSB TSHR 4602/4885ALDH1A1 758/4885GLA 164/4885
US-20020107398-A1 Benzotriazoles HAX1, XDH, MLX TSHR 1816/4885ALDH1A1 1116/4885GLA 699/4885

“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.