SCHEMBL25453940

SCHEMBL25453940

COC1=CCN(C(=O)OC(C)(C)C)CC1(C)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.39
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GRM5 P41594 3/20 0.35
▸ GRM1 Q13255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RORC P51449 3/20 0.35
▸ CTSD P07339 1/20 0.35
▸ CTSE P14091 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ SCD5 Q86SK9 1/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34

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
SCHEMBL29959169 0.82 NR1H2 (0.37) NR1H2PDK4GRM5GRM1RORC
SCHEMBL23579402 0.82 NR1H2 (0.37) NR1H2PDK4GRM5GRM1RORC
SCHEMBL25845989 0.75 NR1H2 (0.39) NR1H2PDK4USP2SMN1; SMN2GRM5
SCHEMBL24880988 0.75 GRM5 (0.39) NR1H2PDK4USP2SMN1; SMN2GRM5
SCHEMBL15740932 0.75 NR1H2 (0.47) NR1H2ALDH1A1PDK4USP2SMN1; SMN2
SCHEMBL17304324 0.74 NR1H2 (0.48) NR1H2ALDH1A1PDK4USP2SMN1; SMN2
SCHEMBL12217740 0.74 NR1H2 (0.48) NR1H2ALDH1A1PDK4USP2SMN1; SMN2
SCHEMBL27147183 0.73 GRM1 (0.38) NR1H2HDAC2HDAC1ALDH1A1PDK4
SCHEMBL23538445 0.73 RORC (0.37) NR1H2PDK4GRM5GRM1RORC
SCHEMBL2256948 0.73 NR1H2 (0.40) NR1H2PDK4RORC

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-20230145336-A1 BRAF DEGRADERS C4 THERAPEUTICS, INC. (US) 2023-05-11 — — 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-20230145336-A1 BRAF DEGRADERS BRAF, NRAS, RAF1 NR1H2 3374/4885HDAC2 1497/4885HDAC1 1230/4885

“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.

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