SCHEMBL21362892

SCHEMBL21362892

CCN(CC)C(=O)C1CCCCCCCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.49
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
CNR2 P34972 2/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL3628742 1.00 BCHE (0.49) BCHEKDM4EALDH1A1HPGDCNR2
SCHEMBL13058298 0.98 BCHE (0.50) BCHEKDM4EALDH1A1HPGDCNR2
SCHEMBL1053598 0.93 BCHE (0.50) BCHEKDM4EALDH1A1HPGDPKM
SCHEMBL1289738 0.88 ALDH1A1 (0.47) BCHEKDM4EALDH1A1HPGDPKM
SCHEMBL21322829 0.88 CNR2 (0.47) BCHEKDM4EALDH1A1HPGDCNR2
Hydrochloric Acid SCHEMBL1289689 0.86 ALDH1A1 (0.46) BCHEKDM4EALDH1A1HPGDPKM
SCHEMBL22447850 0.85 KDM4E (0.40) BCHEKDM4EALDH1A1HPGDCNR2
SCHEMBL22447953 0.85 KDM4E (0.40) BCHEKDM4EALDH1A1HPGDCNR2
SCHEMBL13676231 0.83 BCHE (0.53) BCHEKDM4EALDH1A1CNR2CES2
SCHEMBL13201334 0.80 ALDH1A1 (0.43) BCHEKDM4EALDH1A1HPGDPKM

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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ABBVIE INC. 2019-09-19 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-20190282703-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE (ENPP) CONJUGATES AND USES THEREOF ENPP1, ENPP3, ENPEP BCHE 543/4885KDM4E 3935/4885ALDH1A1 3097/4885

“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.