SCHEMBL6022700

SCHEMBL6022700

COc1cccc(C(=O)CN2CCNCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 4/20 0.58
MAPT P10636 3/20 0.58
CHRM3 P20309 2/20 0.55
KDR P35968 1/20 0.54
KDM4E B2RXH2 3/20 0.53
THRB P10828 1/20 0.53
ADRB1 P08588 1/20 0.51
GRIN2B Q13224 1/20 0.51
CDYL2 Q8N8U2 4/20 0.50
CDYL Q9Y232 4/20 0.50
CDY1; CDY1B Q9Y6F8 4/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL4873274 0.83 ALDH1A1 (0.71) MEN1KMT2AALDH1A1MAPTKDR
Hydrochloric Acid SCHEMBL3844533 0.82 ALDH1A1 (0.69) MEN1KMT2AALDH1A1MAPTKDR
SCHEMBL11395399 0.80 KDM5C (0.51) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11106554 0.80 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL3846426 0.79 L3MBTL1 (0.70) MEN1KMT2AALDH1A1HPGD
SCHEMBL10775964 0.78 SMN1; SMN2 (0.72) MEN1KMT2AALDH1A1MAPTKDR
SCHEMBL31419990 0.78 DRD4 (0.66) MEN1KMT2AALDH1A1MAPTKDR
SCHEMBL1189519 0.78 ALDH1A1 (0.63) MEN1KMT2AALDH1A1MAPTKDR
Hydrochloric Acid SCHEMBL31419981 0.77 DRD4 (0.65) MEN1KMT2AALDH1A1MAPTKDR
SCHEMBL11104586 0.77 KDR (0.61) MEN1KMT2AALDH1A1MAPTKDR

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 MEN1 3297/4885KMT2A 1377/4885ALDH1A1 804/4885

“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.