SCHEMBL24488462

SCHEMBL24488462

C=C(CC(C)(C)C)NCCCCCCC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.33
FFAR1 O14842 1/20 0.33
CPT2 P23786 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
EPHX1 P07099 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
SCHEMBL24950632 0.98 FFAR1 (0.30) TDP1FFAR1CPT2
SCHEMBL21236727 0.92
SCHEMBL20123226 0.84 EPHX1 (0.47) EPHX1
SCHEMBL21393320 0.84 EPHX1 (0.47) EPHX1
SCHEMBL22791756 0.84 KDM4E (0.32) TDP1KDM4EMAPK1HIF1AEPHX1
SCHEMBL25720915 0.84 EPHX1 (0.38) TDP1KDM4EMAPK1HIF1AEPHX1
SCHEMBL27253956 0.82 EPHX1 (0.43) EPHX1
SCHEMBL19143353 0.81 ADRA1A (0.36) KDM4EMAPK1HIF1A
SCHEMBL23175607 0.79 MEN1 (0.32) EPHX1
SCHEMBL18950854 0.79 EPHX1 (0.39) EPHX1

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-20220177466-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-06-09 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-20220177466-A1 DEGRADERS OF KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 (KEAP1) KEAP1, NFE2L2, GSTK1 TDP1 2171/4885FFAR1 3243/4885CPT2 1391/4885

“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.