SCHEMBL3367351

SCHEMBL3367351

O=C(O)c1cc(N2C(=O)CCC2=O)c2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ ALOX12 P18054 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ BRCA1 P38398 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ FTO Q9C0B1 10/20 0.47
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ SMAD3 P84022 1/20 0.47
▸ PRMT1 Q99873 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ GAA P10253 1/20 0.36

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
SCHEMBL6559492 0.84 FTO (0.55) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL5454785 0.80 HPGD (0.47) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL19207355 0.80 HPGD (0.54) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL10320074 0.80 ALDH1A1 (0.49) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL28239951 0.77 FTO (0.56) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL7455513 0.77 FTO (0.52) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL5077074 0.77 FTO (0.58) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL2225607 0.77 HPGD (0.53) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL3748733 0.76 HPGD (0.49) HPGDALDH1A1ALOX12CYP2C9ALOX15
SCHEMBL8727843 0.75 FTO (0.43) HPGDALDH1A1ALOX12CYP2C9ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 — — US claimed
US-9061069-B2 Use of constrained peptide mimic oligomers as vectorization agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-06-23 — — US disclosed
US-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS UNIVERSITE DE MONTPELLIER I (FR) 2012-07-19 — — US disclosed
EP-1556682-B8 IP3 PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2010-02-17 — — EP disclosed
EP-1556682-B1 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX CORP (US) 2009-10-07 — — EP disclosed
EP-1556682-A4 IP sb 3 /sb PROTEIN BINDING ASSAY DISCOVERX INC (US) 2007-06-06 — — EP disclosed
EP-1556682-A2 IP sb 3 /sb PROTEIN BINDING ASSAY Discoverx, Inc. (US) 2005-07-27 — — EP disclosed
US-20040106158-A1 IP3 protein binding assay DISCOVERX, INC. 2004-06-03 — — US disclosed
WO-2004038369-A2 IP3 PROTEIN BINDING ASSAY DISCOVERX, INC. (US) 2004-05-06 — — 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-20120184480-A1 USE OF CONSTRAINED DIPEPTIDE AND TRIPEPTIDE MIMIC OLIGOMERS AS VECTORIZATION AGENTS DNPEP, IAPP, VIP HPGD 4080/4885ALDH1A1 4687/4885ALOX12 4853/4885

“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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