SCHEMBL25827949

SCHEMBL25827949

CC(C)(C)CC(=O)Cc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 5/20 0.37
RAB9A P51151 3/20 0.37
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
ROCK2 O75116 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MIF P14174 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
SCHEMBL27305897 0.84 ELANE (0.52) ELANEL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL21662663 0.81 POLB (0.46) ELANEL3MBTL1ALDH1A1MAPK1NPC1
SCHEMBL25826624 0.81 MEN1 (0.39) ELANEL3MBTL1NPC1RAB9APRKCA
SCHEMBL26271028 0.80 ESR1 (0.53) ELANEL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL17803839 0.79 MEN1 (0.55) ELANEALDH1A1MAPK1KMT2AMEN1
SCHEMBL20590261 0.78 ALDH1A1 (0.60) ELANEL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL859603 0.78 MAOB (0.49) ELANEL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL10028025 0.77 RAB9A (0.57) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13543649 0.76 L3MBTL1 (0.54) ELANEL3MBTL1NPC1RAB9AKMT2A
SCHEMBL13686641 0.76 SMN1; SMN2 (0.54) ELANEL3MBTL1ALDH1A1NPC1RAB9A

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-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 (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-11701427-B2 Diels-alder conjugation methods GLUL, TGM2, GLS ELANE 1964/4885L3MBTL1 1138/4885ALDH1A1 74/4885

“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.