SCHEMBL20650992

SCHEMBL20650992

O=C(O)CCC(=O)NC1CCCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
SMN1; SMN2 Q16637 2/20 0.67
HPGD P15428 3/20 0.63
EPHX2 P34913 3/20 0.61
EPHX1 P07099 5/20 0.57
KMT2A Q03164 1/20 0.57
HDAC3 O15379 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
NCOR2 Q9Y618 1/20 0.56
NPSR1 Q6W5P4 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL12292825 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL23419601 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL5326659 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL10078357 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL22061771 1.00 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL18536761 0.94 ALDH1A1 (0.88) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL10587847 0.91 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL6549000 0.90 SMN1; SMN2 (0.84) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL27892098 0.90 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1
SCHEMBL10015691 0.89 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2HPGDEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110114-B2 Dinucleotides OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-09-07 US disclosed
US-20210155926-A1 siRNAs WITH AT LEAST TWO LIGANDS AT DIFFERENT ENDS SILENCE THERAPEUTICS GMBH (DE) 2021-05-27 US disclosed
US-20210147840-A1 siRNAs WITH VINYLPHOSPHONATE AT THE 5' END OF THE ANTISENSE STRAND SILENCE THERAPEUTICS GMBH (DE) 2021-05-20 US disclosed
US-20190015439-A1 DINUCLEOTIDES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-17 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 (4 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-11110114-B2 Dinucleotides DCLRE1B, NSUN2, POLRMT ALDH1A1 2716/4885SMN1; SMN2 1335/4885HPGD 1957/4885
US-20190015439-A1 DINUCLEOTIDES DCLRE1B, DPYD, NT5C2 ALDH1A1 2413/4885SMN1; SMN2 2218/4885HPGD 1239/4885
US-20210155926-A1 siRNAs WITH AT LEAST TWO LIGANDS AT DIFFERENT ENDS NSUN3, SNRPE, RNASE1 ALDH1A1 2634/4885SMN1; SMN2 2625/4885HPGD 4695/4885
US-20210147840-A1 siRNAs WITH VINYLPHOSPHONATE AT THE 5' END OF THE ANTISENSE STRAND RNASE1, DCLRE1B, SNRPE ALDH1A1 3841/4885SMN1; SMN2 1806/4885HPGD 4501/4885

“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.