SCHEMBL16207271

SCHEMBL16207271

O=CNCCCN1CCN(CCCNC=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.46
ADH1A P07327 3/20 0.46
ADH7 P40394 3/20 0.46
ADH1C P00326 2/20 0.46
EPHX1 P07099 1/20 0.44
ADH4 P08319 1/20 0.44
ACE2 Q9BYF1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
PAOX Q6QHF9 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL20407305 1.00
SCHEMBL2183070 0.92 ADH1B (0.45) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3321937 0.91 ADH1B (0.43) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL1306927 0.91 HRH3 (0.46) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3931949 0.90 ADH1B (0.48) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3954101 0.90 ALDH1A1 (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3950791 0.90 ADH1B (0.54) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3949507 0.90 ADH1B (0.39) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL1307277 0.89 HRH3 (0.50) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL1781619 0.86 HRH3 (0.52) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533937-B2 Use of metal scavengers for removal of ruthenium residues APEIRON SYNTHESIS S.A. (PL) 2017-01-03 US disclosed
EP-2882877-B1 USE OF METAL SCAVENGERS FOR REMOVAL OF RUTHENIUM RESIDUES APEIRON SYNTHESIS SA (PL) 2016-11-30 EP disclosed
US-20160297742-A1 USE OF METAL SCAVENGERS FOR REMOVAL OF RUTHENIUM RESIDUES APEIRON SYNTHESIS S.A. (PL) 2016-10-13 US disclosed
US-20160297742-A1 USE OF METAL SCAVENGERS FOR REMOVAL OF RUTHENIUM RESIDUES APEIRON SYNTHESIS S.A. (PL) 2016-10-13 US disclosed
WO-2014174501-A2 USE OF METAL SCAVENGERS FOR REMOVAL OF RUTHENIUM RESIDUES APEIRON SYNTHESIS S.A. (PL) 2014-10-30 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-20160297742-A1 USE OF METAL SCAVENGERS FOR REMOVAL OF RUTHENIUM RESIDUES SLC40A1, ABCB7, TFRC ADH1B 1459/4885ADH1A 1801/4885ADH7 531/4885

“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.