SCHEMBL18384364

SCHEMBL18384364

O=Cc1ccc(C(=O)NCCOCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CA2 P00918 4/20 0.39
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NAMPT P43490 2/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL17615144 0.99 SMN1; SMN2 (0.42) SMN1; SMN2CA2HDAC1HDAC3MEN1
SCHEMBL14727910 0.83 MEN1 (0.36) SMN1; SMN2HDAC1MEN1KMT2AEPHX2
SCHEMBL23280517 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CA2HDAC1HDAC3MEN1
SCHEMBL15646002 0.81 SMN1; SMN2 (0.65) SMN1; SMN2CA2KMT2AEPHX2NR1H4
SCHEMBL31199169 0.81 SMN1; SMN2 (0.40) SMN1; SMN2CA2HDAC1HDAC3MEN1
SCHEMBL13056381 0.79 ADORA3 (0.43) SMN1; SMN2HDAC1HDAC3EPHX2NPC1
SCHEMBL26040572 0.78 HPGD (0.31) SMN1; SMN2HPGDHTT
SCHEMBL19001602 0.78 PYGL (0.36) SMN1; SMN2MEN1KMT2AHPGDHTT
SCHEMBL28693018 0.77 SMN1; SMN2 (0.48) SMN1; SMN2CA2HDAC1HDAC3KMT2A
SCHEMBL28600185 0.77 SMN1; SMN2 (0.36) SMN1; SMN2MEN1KMT2AHPGDHTT

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-20170015710-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF SIRENAS LLC (US) 2017-01-19 — — 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-20170015710-A1 CYCLIC PEPTIDE ANALOGS AND CONJUGATES THEREOF VIP, NGLY1, GRPR SMN1; SMN2 3403/4885CA2 3904/4885HDAC1 2709/4885

“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.

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