SCHEMBL17853996

SCHEMBL17853996

CC(C)C(=O)CCCCCN1C(=O)C(C)C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.38
▸ PTGS2 P35354 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CNR2 P34972 3/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32

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
SCHEMBL18371516 0.81 PTGS1 (0.58) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL2606133 0.80 ALDH1A1 (0.37) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL12285635 0.78 PTGS1 (0.64) PTGS1PTGS2ALDH1A1GAARAB9A
SCHEMBL19038332 0.78 SMN1; SMN2 (0.51) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL25579885 0.78 PTGS1 (0.64) PTGS1PTGS2ALDH1A1GAARAB9A
SCHEMBL14962678 0.78 PTGS1 (0.64) PTGS1PTGS2ALDH1A1GAARAB9A
SCHEMBL21158479 0.77 HDAC8 (0.41) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL21158483 0.77 HDAC8 (0.41) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL21158478 0.77 HDAC8 (0.41) PTGS1PTGS2ALDH1A1GAAMEN1
SCHEMBL16283425 0.77 HDAC8 (0.41) PTGS1PTGS2ALDH1A1GAAMEN1

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-20160193310-A1 RM2 ANTIGENS AND USE THEREOF ACADEMIA SINICA 2016-07-07 — — US disclosed
US-20160175421-A1 GLYCAN CONJUGATES AND USE THEREOF WONG CHI-HUEY (US) 2016-06-23 — — 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 (2 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-20160175421-A1 GLYCAN CONJUGATES AND USE THEREOF FUT5, GNE, B3GNT2 PTGS1 3656/4885PTGS2 3879/4885ALDH1A1 3542/4885
US-20160193310-A1 RM2 ANTIGENS AND USE THEREOF LGALS2, MAN2B2, GALNT2 PTGS1 4423/4885PTGS2 2172/4885ALDH1A1 3794/4885

“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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