SCHEMBL9944235

SCHEMBL9944235

COc1c(Cl)cc(C(=O)Nc2ccc(C(C)=O)c(F)c2)cc1OC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 8/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAS1R2 Q8TE23 1/20 0.47
PDE4A P27815 6/20 0.46
PDE4B Q07343 6/20 0.46
PDE4C Q08493 6/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE1C Q14123 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RORC P51449 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1458164 0.93 PDE4D (0.47) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944234 0.89 PDE5A (0.50) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944232 0.87 PDE4D (0.54) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL1458497 0.85 PDE4D (0.50) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944228 0.83 PDE5A (0.47) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944229 0.83 HSD11B1 (0.46) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944217 0.83 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL1459181 0.83 PDE4D (0.57) PDE4DTAS1R3TAS1R1TAS1R2PDE4A
SCHEMBL9944203 0.82 TAS1R3 (0.55) TAS1R3TAS1R1TAS1R2MAPTLMNA
SCHEMBL9944351 0.82 TAS1R3 (0.53) PDE4DTAS1R3TAS1R1TAS1R2PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120149737-A1 Therapeutic Aryl-Amido-Aryl Compounds and Their Use RARA, RARB, RARG PDE4D 664/4885TAS1R3 1123/4885TAS1R1 693/4885

“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.