SCHEMBL23318972

SCHEMBL23318972

CNCC(O)c1ccc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.66
CYP3A4 P08684 3/20 0.66
ALDH1A1 P00352 3/20 0.66
LMNA P02545 2/20 0.66
ADRB2 P07550 5/20 0.64
HTT P42858 1/20 0.49
TDP1 Q9NUW8 6/20 0.49
KDM4E B2RXH2 6/20 0.49
BLM P54132 4/20 0.49
HSD17B10 Q99714 3/20 0.49
MAPT P10636 3/20 0.49
TSHR P16473 3/20 0.49
CYP1A2 P05177 2/20 0.49
NFKB1 P19838 2/20 0.49
GAA P10253 2/20 0.49
THPO P40225 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC6A2 P23975 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 3/20 0.47

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
SCHEMBL11281120 0.86 LMNA (0.55) HIF1ACYP3A4ALDH1A1LMNAADRB2
Hydrochloric Acid SCHEMBL11281093 0.85 ADRB2 (0.56) HIF1ACYP3A4ALDH1A1LMNAADRB2
SCHEMBL11278863 0.84 ALDH1A1 (0.59) HIF1ACYP3A4ALDH1A1LMNAADRB2
SCHEMBL11257064 0.83 CYP3A4 (0.45) HIF1ACYP3A4ALDH1A1LMNAADRB2
SCHEMBL23318966 0.83 HIF1A (0.72) HIF1ACYP3A4ALDH1A1LMNAADRB2
Dipivefrin SCHEMBL11358316 0.82 HIF1A (0.78) HIF1ACYP3A4ALDH1A1LMNAADRB2
Hydrochloric Acid SCHEMBL9348676 0.82 ADRB2 (0.59) HIF1ACYP3A4ALDH1A1LMNAADRB2
SCHEMBL23337952 0.82 HIF1A (0.71) HIF1ACYP3A4ALDH1A1LMNAADRB2
SCHEMBL20142145 0.82 HIF1A (0.71) HIF1ACYP3A4ALDH1A1LMNAADRB2
Hydrochloric Acid SCHEMBL9344932 0.81 ADRB2 (0.58) HIF1ACYP3A4ALDH1A1LMNAADRB2

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-20210128511-A1 PRODRUG COMPOSITIONS AND METHODS OF TREATMENT AQUESTIVE THERAPEUTICS, INC. (US) 2021-05-06 US disclosed
WO-2021087359-A1 PRODRUG COMPOSITIONS AND METHODS OF TREATMENT AQUESTIVE THERAPEUTICS, INC. (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-20210128511-A1 PRODRUG COMPOSITIONS AND METHODS OF TREATMENT ADRA2C, ADRB3, ADRA2B HIF1A 2267/4885CYP3A4 127/4885ALDH1A1 559/4885

“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.