SCHEMBL25826624

SCHEMBL25826624

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
ELANE P08246 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCD Q05655 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
SCHEMBL27102419 0.82 MEN1 (0.42) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL21120303 0.81 KMT2A (0.43) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL25827949 0.81 ELANE (0.40) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL25826617 0.80 FFAR1 (0.35) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL10028025 0.80 RAB9A (0.57) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL27305897 0.78 ELANE (0.52) MEN1KMT2ASMN1; SMN2L3MBTL1RAB9A
SCHEMBL18792766 0.77 ELANE (0.46) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL27421364 0.77 L3MBTL1 (0.40) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL24541057 0.76 MEN1 (0.43) MEN1KMT2AROCK2SMN1; SMN2L3MBTL1
SCHEMBL12157064 0.76 KMT2A (0.43) MEN1KMT2AROCK2SMN1; 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 MEN1 613/4885KMT2A 1013/4885ROCK2 3065/4885
US-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS MEN1 613/4885KMT2A 1013/4885ROCK2 3065/4885

“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.