SCHEMBL23055604

SCHEMBL23055604

Nc1ccc2c(c1)C(=C1CCOCC1)C(=O)N2C1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.36
DDB1 Q16531 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
BACE1 P56817 2/20 0.33
CTSE P14091 1/20 0.33
RAF1 P04049 2/20 0.32
BRAF P15056 1/20 0.32
HSD17B3 P37058 1/20 0.32
ASH1L Q9NR48 1/20 0.31
ANPEP P15144 1/20 0.30
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CYP3A4 P08684 1/20 0.30
NFKB1 P19838 1/20 0.30

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
SCHEMBL23055866 0.84 CRBN (0.34) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055646 0.82 CRBN (0.34) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055896 0.81 ALDH1A1 (0.41) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055493 0.81 MAPT (0.39) CRBNALDH1A1HSD17B10GAAMAPT
SCHEMBL23056000 0.81 BACE1 (0.33) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055601 0.80 DDB1 (0.33) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055427 0.79 BACE1 (0.33) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055558 0.79 DDB1 (0.42) CRBNDDB1ALDH1A1HSD17B10GAA
SCHEMBL23055389 0.78 ALDH1A1 (0.33) CRBNDDB1ALDH1A1CASP1CASP7
SCHEMBL23055575 0.76 GAA (0.35) ALDH1A1CASP1CASP7HSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-11795147-B2 Modulators of complex I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-10-24 US disclosed
US-20210061761-A1 MODULATORS OF COMPLEX I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-04 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 (2 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-20210061761-A1 MODULATORS OF COMPLEX I NDUFAB1, NDUFV1, NDUFB7 CRBN 2685/4885DDB1 1840/4885ALDH1A1 1006/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 CRBN 2685/4885DDB1 1840/4885ALDH1A1 1006/4885

“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.