SCHEMBL740600

SCHEMBL740600

CC[N+]1(CC(=O)[O-])CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
FFAR3 O14843 2/20 0.32
HDAC3 O15379 2/20 0.32
HDAC1 Q13547 2/20 0.32
HDAC2 Q92769 2/20 0.32
HDAC8 Q9BY41 2/20 0.32
TSHR P16473 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
HTT P42858 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
Acetic Acid SCHEMBL29251855 0.79 CA1 (0.40) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL8370925 0.79 MEN1 (0.31) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL13538039 0.75 LMNA (0.41) CHRM2CHRM4CHRM5CYP2D6CHRM1
Acetic Acid SCHEMBL30330496 0.75 CHRM2 (0.38) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL17338057 0.74
SCHEMBL11204343 0.73 TSHR (0.50) TSHRCTDSP1HTT
SCHEMBL575098 0.72 CHRNA7 (0.34) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL19307655 0.72 CHRNA7 (0.34) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL2865219 0.72 CHRNA7 (0.34) CHRM2CHRM4CHRM5CYP2D6CHRM1
SCHEMBL19307694 0.72 CHRNA7 (0.34) CHRM2CHRM4CHRM5CYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430195-B1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA INC (US) 2019-01-23 EP disclosed
US-20140065627-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2014-03-06 US disclosed
US-8519125-B2 Compositions and methods for biological sample storage BIOMATRICA, INC. (US) 2013-08-27 US disclosed
EP-2430195-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE Biomatrica, INC. (US) 2012-03-21 EP disclosed
US-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2011-04-07 US disclosed
WO-2010132508-A2 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE BIOMATRICA, INC. (US) 2010-11-18 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-20110081363-A1 COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE DNASE1, DIS3, NEFM CHRM2 3816/4885CHRM4 4462/4885CHRM5 4693/4885

“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.