SCHEMBL4352079

SCHEMBL4352079

COC(=O)C(C)N(CCO)C(C)C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
CA14 Q9ULX7 3/20 0.36
CA12 O43570 2/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP7 P55210 1/20 0.35
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
MME P08473 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G1B P04054 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
SCHEMBL5181916 0.89 SMN1; SMN2 (0.41) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL8373524 0.83 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL28033377 0.83 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8857634 0.83 SMN1; SMN2 (0.37) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL4349094 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12MEN1KMT2A
SCHEMBL8374459 0.81 CHRNB2 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL8582715 0.76 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL9021302 0.75 TP53 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8585524 0.74 SMN1; SMN2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL27617139 0.71 ALDH1A1 (0.38) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2

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-20090280060-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION 2009-11-12 US disclosed
US-20070195309-A1 PHOTOCHROMIC PROBES WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-23 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 (2 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-20070195309-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 CHRNB2 2162/4885CHRNB4 1907/4885CHRNA3 1628/4885
US-20090280060-A1 PHOTOCHROMIC PROBES ORAI1, TRPC1, STIM1 CHRNB2 2162/4885CHRNB4 1907/4885CHRNA3 1628/4885

“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.