SCHEMBL6022672

SCHEMBL6022672

CCCOc1cc(C=CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OCCC)c1O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ENPP2 Q13822 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL6023056 0.86 ACHE (0.54) ACHEMEN1THRBKMT2A
SCHEMBL6022686 0.86 MAPT (0.54) ACHEALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6023480 0.82 MEN1 (0.57) ACHEMEN1THRBKMT2A
SCHEMBL6023956 0.80 MEN1 (0.62) ACHEMEN1THRBKMT2A
SCHEMBL6022932 0.79 MAPT (0.57) ACHEALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6022671 0.79 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL6022763 0.76 MAPT (0.44) ACHEALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6022755 0.76 MAPT (0.49) ACHEALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL6022751 0.76 MAPT (0.49) ACHEALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL24641954 0.73 MAPT (0.83) ALDH1A1SMN1; SMN2MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACHE 233/4885ALDH1A1 804/4885SMN1; SMN2 140/4885

“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.