SCHEMBL6022931

SCHEMBL6022931

CCCCOc1cc(C=CC(=O)N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc(OCCCC)c1O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
CYP2D6 P10635 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR183 P32249 2/20 0.43
HTR2A P28223 3/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL6022512 0.91 GAA (0.46) ACHEALDH1A1GAATDP1MEN1
SCHEMBL6023327 0.84 ACHE (0.48) ACHEALDH1A1CYP3A4CYP2C19TDP1
SCHEMBL6022925 0.80 MEN1 (0.47) ACHEALDH1A1CYP3A4CYP2C19TDP1
SCHEMBL6023506 0.80 MEN1 (0.47) ACHEALDH1A1CYP3A4CYP2C19TDP1
SCHEMBL6022927 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6022519 0.79 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4GAACYP2D6
SCHEMBL6023352 0.78 ACHE (0.45) ACHEALDH1A1GAATDP1MEN1
SCHEMBL6023886 0.75 KDM4E (0.45) ACHEALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL6023480 0.75 MEN1 (0.57) ACHEGAAMEN1THRBKMT2A
SCHEMBL6023158 0.75 ACHE (0.51) ACHECYP3A4CYP2C19TDP1MEN1

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 804/4885CYP1A2 4374/4885

“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.