SCHEMBL9944090

SCHEMBL9944090

Cc1c(OC2CCCC2)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 11/20 0.62
PDE4A P27815 9/20 0.62
PDE4B Q07343 9/20 0.62
PDE4C Q08493 9/20 0.62
PDE5A O76074 3/20 0.55
PDE1A P54750 1/20 0.55
PDE1B Q01064 1/20 0.55
PDE1C Q14123 1/20 0.55
PKM P14618 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL9944107 0.90 PDE4A (0.54) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458268 0.85 PDE4A (0.56) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458274 0.83 PDE4A (0.55) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1459185 0.82 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1457754 0.81 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL9944086 0.81 PDE4A (0.49) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458062 0.81 PDE4A (0.51) PDE4DPDE4APDE4BPDE4CMEN1
SCHEMBL9944142 0.81 PDE4D (0.54) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1458427 0.81 PDE4A (0.60) PDE4DPDE4APDE4BPDE4CPDE5A
SCHEMBL1459181 0.81 PDE4D (0.57) 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 PDE4D 664/4885PDE4A 358/4885PDE4B 512/4885
US-20160039747-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PDE4D 664/4885PDE4A 358/4885PDE4B 512/4885

“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.