SCHEMBL8036232

SCHEMBL8036232

CC(=O)N(CC1CO1)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TP53 P04637 2/20 0.31
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
HBB P68871 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11983877 0.93 ALDH1A1 (0.38) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL19538318 0.82 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10985276 0.81 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL30532510 0.79
SCHEMBL1499250 0.79
SCHEMBL20217112 0.78 MTNR1A (0.33) ALDH1A1
SCHEMBL14301121 0.77 LMNA (0.40) ALDH1A1LMNA
SCHEMBL21119307 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL11425576 0.76 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ATP53CYP3A4
SCHEMBL27646070 0.76 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300518-B1 ANTIREFLECTIVE COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA (US) 2012-08-15 EP disclosed
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US disclosed
US-6153771-A 5-SUBSTITUTED ISOPHTHALIC ACID BIS(ALLYLAMIDE) OR CORRESPONDING EPOXIDE OF THE ALLYL GROUPS; INTERMEDIATE FOR IOHEXOL NYCOMED IMAGING AS (NO) 2000-11-28 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-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A ALDH1A1 50/4885CHRM2 75/4885CHRM4 177/4885

“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.