SCHEMBL1458142

SCHEMBL1458142

COC(=O)c1ccc(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC3CCCCC3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.53
PDE4B Q07343 5/20 0.53
PDE4C Q08493 5/20 0.53
PDE4D Q08499 5/20 0.53
KDM4E B2RXH2 3/20 0.47
PDE5A O76074 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.45
OPRK1 P41145 1/20 0.45
PTPN1 P18031 1/20 0.45
C5AR1 P21730 1/20 0.44
PDE1A P54750 1/20 0.44
PDE1B Q01064 1/20 0.44
PDE1C Q14123 1/20 0.44
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SLC2A1 P11166 1/20 0.43
CYP19A1 P11511 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL1458000 0.90 LMNA (0.54) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1458193 0.87 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1457987 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9944356 0.86 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1458102 0.85 PLAU (0.57) KDM4EMEN1KMT2AALDH1A1PTPN1
SCHEMBL1457884 0.83 TAS1R3 (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1458045 0.82 KDM4E (0.53) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL1457742 0.81 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL9944142 0.81 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPDE5A
SCHEMBL1459185 0.79 PDE4D (0.54) PDE4APDE4BPDE4CPDE4DPDE5A

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-9447028-B2 Therapeutic aryl-amido-aryl compounds and their use KING'S COLLEGE LONDON (GB) 2016-09-20 US disclosed
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2016-02-11 US disclosed
EP-2473479-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE King's College London (GB) 2012-07-11 EP disclosed
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 US disclosed
WO-2011027106-A1 THERAPEUTIC ARYL-AM I DO-ARYL COMPOUNDS AND THEIR USE KING'S COLLEGE LONDON (GB) 2011-03-10 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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PDE4A 358/4885PDE4B 512/4885PDE4C 840/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PDE4A 358/4885PDE4B 512/4885PDE4C 840/4885

“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.