SCHEMBL6023934

SCHEMBL6023934

CCC(CC)Oc1cc(CN2CCN(c3ccc(N=C(N)c4cccs4)cc3)CC2)cc(OC(CC)CC)c1O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 9/20 0.41
NOS1 P29475 9/20 0.41
NOS2 P35228 5/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL6023363 0.86 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL6022573 0.85 NOS3 (0.40) NOS3NOS1NOS2
SCHEMBL4310929 0.82 ALDH1A1 (0.49) NOS3NOS1
SCHEMBL6023924 0.82 MAPT (0.42) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL4315282 0.82 ALDH1A1 (0.48) NOS3NOS1NOS2
Hydrochloric Acid SCHEMBL6024148 0.81 MAPT (0.43)
SCHEMBL13979808 0.74 NOS3 (0.62) NOS3NOS1NOS2
SCHEMBL7562881 0.72 QRFPR (0.53) NOS3NOS1NOS2
SCHEMBL4323025 0.71 LMNA (0.49) NOS3NOS1
SCHEMBL6968842 0.71 NOS1 (0.57) NOS3NOS1NOS2

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-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-08-28 US claimed
US-7078407-B2 4-hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-07-18 US disclosed
US-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2003-08-28 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-20030162789-A1 4-Hydroxycinnamamide derivatives as antioxidants and pharmaceutical compositions containing them HTT, PARK7, NQO1 NOS3 2966/4885NOS1 3761/4885NOS2 3854/4885

“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.