SCHEMBL21133746

SCHEMBL21133746

CCCCC/C=C/C(=O)/C=C/c1cc(OCC)c(OC)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.42
CYP2D6 P10635 6/20 0.42
CYP1A1 P04798 4/20 0.42
CYP1B1 Q16678 4/20 0.42
HTR1A P08908 5/20 0.42
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
ALOX5 P09917 2/20 0.40
NFKB1 P19838 1/20 0.40
STAT3 P40763 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NFE2L2 Q16236 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL21133664 0.84 CYP1A2 (0.53) CYP1A2CYP2D6HTR1AHTR2CHTR2A
SCHEMBL17527415 0.71 CYP2D6 (0.71) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL17527436 0.71 CYP2D6 (0.71) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL16610417 0.71 KDM4E (0.48) HTR1AHTR2CHTR2ASLC6A4HTR7
SCHEMBL29929370 0.70 CYP2D6 (0.69) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL30335087 0.70 CYP2D6 (0.69) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL29929008 0.70 CYP2D6 (0.69) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL30334920 0.70 CYP2D6 (0.69) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL5702708 0.70 CYP2D6 (0.69) CYP1A2CYP2D6HTR1AALOX5NFKB1
SCHEMBL16610368 0.70 KDM4E (0.72) CYP1A2HTR1AHTR2CKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10342766-B2 6-shogaol derivatives and activities thereof NORTH CAROLINA AGRICULTURAL AND TECHNICAL STATE UNIVERSITY (US) 2019-07-09 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-10342766-B2 6-shogaol derivatives and activities thereof NFE2L2, HMOX1, KEAP1 CYP1A2 267/4885CYP2D6 71/4885CYP1A1 412/4885

“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.