SCHEMBL25826617

SCHEMBL25826617

CC(C)(C)CCCOCC(=O)CNc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.35
ROCK2 O75116 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
EGFR P00533 1/20 0.31
ELANE P08246 1/20 0.30
POLB P06746 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
SCHEMBL25826615 0.85 SMN1; SMN2 (0.38) FFAR1ROCK2MEN1KMT2ASMN1; SMN2
SCHEMBL25826612 0.84 FFAR1 (0.37) FFAR1CA1CA2POLB
SCHEMBL25826624 0.80 MEN1 (0.39) ROCK2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27421364 0.79 L3MBTL1 (0.40) FFAR1ROCK2MEN1KMT2ASMN1; SMN2
SCHEMBL25827944 0.78 HRH3 (0.36) ROCK2SMN1; SMN2CA1ELANE
SCHEMBL27102419 0.75 MEN1 (0.42) ROCK2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL15242395 0.73 ALDH1A1 (0.43) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL21120303 0.73 KMT2A (0.43) ROCK2MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL27305897 0.71 ELANE (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1ELANE
SCHEMBL18792766 0.70 ELANE (0.46) ROCK2MEN1KMT2ASMN1; SMN2L3MBTL1

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 FFAR1 3820/4885ROCK2 3065/4885MEN1 613/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS FFAR1 3820/4885ROCK2 3065/4885MEN1 613/4885

“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.