SCHEMBL23765362

SCHEMBL23765362

COc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OCCN)c(OCCN)c2)cc1OCCN

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.72
FDPS P14324 3/20 0.64
PTGES O14684 3/20 0.62
APP P05067 6/20 0.60
BACE1 P56817 4/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
TSHR P16473 2/20 0.60
HSD17B10 Q99714 2/20 0.60
MAPT P10636 2/20 0.60
KDM4E B2RXH2 2/20 0.60
TOP2A P11388 2/20 0.60
SNCA P37840 2/20 0.60
ABCB1 P08183 2/20 0.60
AKR1B1 P15121 2/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
CYP2C19 P33261 1/20 0.60
MEN1 O00255 1/20 0.60
HDAC3 O15379 1/20 0.60

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
SCHEMBL18570139 0.97 NFE2L2 (0.76) NFE2L2FDPSPTGESAPPBACE1
SCHEMBL18544347 0.96 NFE2L2 (0.74) NFE2L2FDPSPTGESAPPBACE1
SCHEMBL18544348 0.96 NFE2L2 (0.74) NFE2L2FDPSPTGESAPPBACE1
SCHEMBL18569997 0.95 NFE2L2 (0.65) NFE2L2FDPSPTGESAPPBACE1
Hydrochloric Acid SCHEMBL27175580 0.95 NFE2L2 (0.72) NFE2L2FDPSPTGESAPPBACE1
Hydrochloric Acid SCHEMBL18544374 0.94 NFE2L2 (0.70) NFE2L2FDPSPTGESAPPBACE1
Hydrochloric Acid SCHEMBL18544375 0.94 NFE2L2 (0.70) NFE2L2FDPSPTGESAPPBACE1
Hydrochloric Acid SCHEMBL30884509 0.94 NFE2L2 (0.70) NFE2L2FDPSPTGESAPPBACE1
SCHEMBL19415798 0.92 NFE2L2 (0.61) NFE2L2FDPSPTGESAPPBACE1
SCHEMBL18569871 0.91 NFE2L2 (0.67) NFE2L2FDPSPTGESAPPBACE1

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-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2021-12-07 US disclosed
EP-3225112-B1 PHOTOSENSITISER DISPERSION AND USE OF THE SAME TRIOPTOTEC GMBH (DE) 2021-08-18 EP 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-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 NFE2L2 1038/4885FDPS 28/4885PTGES 97/4885

“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.