SCHEMBL6022682

SCHEMBL6022682

CCC(CC)Oc1cc(C(=O)C=CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC(CC)CC)c1O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.45
ALDH1A1 P00352 8/20 0.45
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
HTT P42858 1/20 0.43
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR1A P08908 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6022671 0.86 MAPT (0.46) MAPTALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL6022686 0.80 MAPT (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL6022926 0.79 CTSL (0.47) MAPTALDH1A1LMNASMN1; SMN2CTSL
SCHEMBL6023475 0.71 MAPT (0.41) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL6023953 0.70 THRB (0.40) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4322548 0.69 CRHBP (0.60) MAPTALDH1A1LMNASMN1; SMN2POLB
SCHEMBL4377341 0.68 ALDH1A1 (0.56) ALDH1A1LMNASMN1; SMN2CTSLCTSB
SCHEMBL6022672 0.65 ACHE (0.54) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4322387 0.64 CRHBP (0.63) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL1045279 0.64 SIRT6 (0.62) MAPTALDH1A1LMNASMN1; SMN2HTT

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 MAPT 69/4885ALDH1A1 804/4885LMNA 2295/4885

“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.