SCHEMBL26054580

SCHEMBL26054580

CC(C)(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.73
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
KDM4E B2RXH2 3/20 0.73
IP6K1 Q92551 13/20 0.72
IP6K3 Q96PC2 11/20 0.72
IP6K2 Q9UHH9 11/20 0.72
TP53 P04637 1/20 0.72
HSD17B10 Q99714 1/20 0.72
POLB P06746 3/20 0.61
HSP90AA1 P07900 1/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL4027834 0.85 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL10396398 0.84 IP6K1 (1.00) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL25989723 0.82 IP6K1 (1.00) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL14434145 0.82 IP6K1 (0.78) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL25990455 0.81 IP6K1 (1.00) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL31105885 0.80 IP6K1 (0.78) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL25990645 0.79 IP6K1 (0.95) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL6848397 0.78 MEN1 (0.78) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL25990489 0.78 IP6K1 (0.80) ALDH1A1MEN1KMT2AKDM4EIP6K1
SCHEMBL31105831 0.77 IP6K1 (0.76) ALDH1A1MEN1KMT2AKDM4EIP6K1

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-11731967-B2 Inhibitors of TRIM33 and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-08-22 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-11731967-B2 Inhibitors of TRIM33 and methods of use TRIM33, TRIM28, TRIM4 ALDH1A1 3246/4885MEN1 4215/4885KMT2A 1335/4885

“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.