SCHEMBL23055558

SCHEMBL23055558

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B10 Q99714 3/20 0.36
MAPK1 P28482 2/20 0.32
MAPT P10636 3/20 0.32
TP53 P04637 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
BRD4 O60885 6/20 0.31
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 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
SCHEMBL23055564 0.86 DDB1 (0.40) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055760 0.85 DDB1 (0.39) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055580 0.82 DDB1 (0.38) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055579 0.82 DDB1 (0.38) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055595 0.81 DDB1 (0.38) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055540 0.81 DDB1 (0.38) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055361 0.80 DDB1 (0.37) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055478 0.80 DDB1 (0.37) DDB1CRBNALDH1A1KDM4EHPGD
SCHEMBL23055604 0.79 CRBN (0.36) DDB1CRBNALDH1A1HSD17B10MAPT
SCHEMBL23055493 0.78 MAPT (0.39) CRBNALDH1A1HPGDHSD17B10MAPK1

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 DDB1 1840/4885CRBN 2685/4885ALDH1A1 1006/4885
US-11795147-B2 Modulators of complex I NDUFAB1, NDUFV1, NDUFB7 DDB1 1840/4885CRBN 2685/4885ALDH1A1 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.