SCHEMBL21668622

SCHEMBL21668622

CC(C)(C)OC(O)Nc1ccccc1C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.35
ALDH1A1 P00352 6/20 0.35
HPGD P15428 5/20 0.35
HSD17B10 Q99714 4/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
ATM Q13315 1/20 0.35
ALOX12 P18054 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 2/20 0.32
GLA P06280 2/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL9890035 0.78 RXFP1 (0.46) KDM4EALDH1A1HPGDHSD17B10ADRA1A
SCHEMBL4352600 0.78 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10ADRA1A
SCHEMBL25063097 0.76 CYP2C19 (0.49) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL25063427 0.75 ADRA1A (0.41) KDM4EALDH1A1HPGDHSD17B10ADRA1A
SCHEMBL74375 0.73 TSHR (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL8341133 0.71 KDM4E (0.39) KDM4EALDH1A1POLBSMN1; SMN2TSHR
SCHEMBL8335906 0.70 ITGB1 (0.43) KDM4EALDH1A1HPGDGAASMN1; SMN2
Hydrochloric Acid SCHEMBL1509182 0.70 GAA (0.41) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL29811031 0.69 MGLL (0.39) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5303474 0.69 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200038383-A1 IMMEDIATE-RELEASE ABUSE DETERRENT COMPOSITIONS OR MEDICAMENTS FOR TREATING PAIN, ADD, ADHD AND OTHER SYNDROMES OR DISORDERS ALTER DOMUS (US) LLC 2020-02-06 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-20200038383-A1 IMMEDIATE-RELEASE ABUSE DETERRENT COMPOSITIONS OR MEDICAMENTS FOR TREATING PAIN, ADD, ADHD AND OTHER SYNDROMES OR DISORDERS OPRK1, OPRL1, OPRD1 KDM4E 3455/4885ALDH1A1 45/4885HPGD 96/4885

“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.