SCHEMBL9944118

SCHEMBL9944118

Cc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(F)c2)cc1OC1CCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
PDE4D Q08499 7/20 0.44
PDE4A P27815 5/20 0.44
PDE4B Q07343 5/20 0.44
PDE4C Q08493 5/20 0.44
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
CPT2 P23786 7/20 0.43
CPT1A P50416 7/20 0.43
CPT1B Q92523 7/20 0.43
S1PR1 P21453 1/20 0.43
SCN9A Q15858 1/20 0.42
RORC P51449 1/20 0.42
APLNR P35414 1/20 0.41

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
SCHEMBL9944110 0.90 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458164 0.89 PDE4D (0.47) RARARARBRARGPDE4DPDE4A
SCHEMBL9944107 0.86 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL9944105 0.83 RARA (0.47) RARARARBRARGCPT2CPT1A
SCHEMBL9944235 0.82 PDE4D (0.47) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458110 0.81 PDE4A (0.47) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL9944117 0.80 RARA (0.44) RARARARBRARGCPT2CPT1A
SCHEMBL9944113 0.80 MAPT (0.47) RARARARBRARGPDE4DCPT2
SCHEMBL9944095 0.80 RARA (0.52) RARARARBRARGCPT2CPT1A
SCHEMBL1458497 0.80 PDE4D (0.50) PDE4DPDE4APDE4BPDE4CPDE5A

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 3 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
US-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use KING'S COLLEGE LONDON (GB) 2012-06-14 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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.