SCHEMBL23318482

SCHEMBL23318482

CC(C)(C)OC(=O)NCCOCCOCCOCCOc1cc(C=O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
ADRB2 P07550 1/20 0.45
HTR1A P08908 1/20 0.45
BCHE P06276 2/20 0.43
CNR2 P34972 2/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
HPGD P15428 2/20 0.43
TRIM24 O15164 1/20 0.43
ALDH5A1 P51649 1/20 0.43
ABAT P80404 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRIM33 Q9UPN9 1/20 0.43
FDPS P14324 1/20 0.41
EGFR P00533 1/20 0.41
ITK Q08881 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL18544363 0.93 ALDH1A1 (0.53) ALDH1A1CA12CA1CA2CA9
SCHEMBL24838619 0.91 ADRB2 (0.45) ALDH1A1ADRB2HTR1ABCHECNR2
SCHEMBL18569779 0.91 ADRB2 (0.45) ALDH1A1ADRB2HTR1ABCHECNR2
SCHEMBL18544320 0.88 FDPS (0.59) ALDH1A1HPGDTDP1FDPSCYP1A2
SCHEMBL25815595 0.86 EGFR (0.51) ALDH1A1ADRB2HTR1ABCHECNR2
SCHEMBL18544359 0.85 FDPS (0.45) ALDH1A1ADRB2HTR1ABCHECNR2
SCHEMBL18544360 0.84 CA12 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL31271052 0.84 CA12 (0.49) ALDH1A1CA12CA1CA2CA9
SCHEMBL18544318 0.83 ALDH1A1 (0.50) ALDH1A1CA12CA1CA2CA9
SCHEMBL29102400 0.82 CA12 (0.56) ALDH1A1ADRB2HTR1ABCHECNR2

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-20230002329-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS THE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-01-05 US disclosed
WO-2021087084-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-05-06 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-20230002329-A1 COMPOUNDS AND MODULES FOR INHIBITION OF PRE-miR-21 AND THEIR USE IN TREATMENT OF CERTAIN CANCERS SNRPE, RPRD2, SNRPA ALDH1A1 2557/4885ADRB2 4611/4885HTR1A 4402/4885

“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.