SCHEMBL25826615

SCHEMBL25826615

CC(C)(C)CCCOCCNc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.37
ABCB11 O95342 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2B P18089 1/20 0.36
OPRD1 P41143 1/20 0.36
SCN5A Q14524 1/20 0.36
ROCK2 O75116 1/20 0.36
FFAR1 O14842 2/20 0.36
MAPT P10636 2/20 0.33
GBA1 P04062 2/20 0.33
PTPN1 P18031 1/20 0.33
RECQL P46063 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL27421364 0.87 L3MBTL1 (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL25826617 0.85 FFAR1 (0.35) SMN1; SMN2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL25827944 0.83 HRH3 (0.36) SMN1; SMN2LMNAROCK2MAPT
SCHEMBL25826613 0.79 ESR1 (0.37) ABCB11CYP3A4ADRA2BOPRD1SCN5A
SCHEMBL27102419 0.77 MEN1 (0.42) SMN1; SMN2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL21120303 0.76 KMT2A (0.43) SMN1; SMN2MEN1KMT2AL3MBTL1LMNA
SCHEMBL27305897 0.73 ELANE (0.52) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL25826624 0.73 MEN1 (0.39) SMN1; SMN2MEN1KMT2AL3MBTL1ROCK2
SCHEMBL18792766 0.72 ELANE (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1CYP3A4
SCHEMBL25993800 0.72 MEN1 (0.45) SMN1; SMN2MEN1KMT2AL3MBTL1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207412-A1 DIELS-ALDER CONJUGATION METHODS REGENERON PHARMACEUTICALS, INC. (US) 2024-06-27 US disclosed
US-11701427-B2 Diels-alder conjugation methods REGENERON PHARMACEUTICALS, INC. (US) 2023-07-18 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-20240207412-A1 DIELS-ALDER CONJUGATION METHODS GLUL, TGM2, GLS SMN1; SMN2 2409/4885MEN1 613/4885KMT2A 1013/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS SMN1; SMN2 2409/4885MEN1 613/4885KMT2A 1013/4885

“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.