SCHEMBL6023052

SCHEMBL6023052

CCCOc1cc(C(=O)C=CN2CCN(c3ccc(N)cc3)CC2)cc(OCCC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
USP2 O75604 3/20 0.40
MAPK1 P28482 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
GFER P55789 2/20 0.38
CASP6 P55212 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAD52 P43351 1/20 0.37
TSHR P16473 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 1/20 0.36
ALOX12 P18054 1/20 0.35

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
SCHEMBL6023475 0.95 MAPT (0.41) MAPTALDH1A1USP2MAPK1NPC1
SCHEMBL6023953 0.93 THRB (0.40) MAPTALDH1A1USP2MAPK1NPC1
SCHEMBL6022671 0.86 MAPT (0.46) MAPTALDH1A1LMNAGAASMN1; SMN2
SCHEMBL6022867 0.85 MAPT (0.39) MAPTALDH1A1USP2MAPK1NPC1
SCHEMBL6023056 0.78 ACHE (0.54) NPC1GAAKMT2A
SCHEMBL6023217 0.78 TNFRSF1A (0.48) MAPTALDH1A1USP2MAPK1NPC1
SCHEMBL6023480 0.73 MEN1 (0.57) NPC1GAAKMT2A
SCHEMBL6023956 0.71 MEN1 (0.62) NPC1TDP1KMT2A
SCHEMBL6022927 0.71 ALDH1A1 (0.44) MAPTALDH1A1USP2MAPK1NPC1
SCHEMBL6022511 0.71 ALDH1A1 (0.44) MAPTALDH1A1USP2MAPK1NPC1

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 804/4885USP2 2721/4885

“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.