SCHEMBL9916993

SCHEMBL9916993

CC(C)=CC(C(=O)N1C(=O)C2C3CCC(C3)C21)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.30
DPP4 P27487 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9916977 0.73 NPC1 (0.32) SMN1; SMN2
SCHEMBL9916978 0.72 PDK1 (0.31) SMN1; SMN2
SCHEMBL9916030 0.71 SMN1; SMN2 (0.38) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9916033 0.70 RIPK1 (0.43) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9915939 0.69 KMT2A (0.36) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9916047 0.68 ALDH1A1 (0.37) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9915993 0.68 ALDH1A1 (0.39) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9915938 0.67 KMT2A (0.37) L3MBTL1CYP1A2CYP2C19GAAALDH1A1
SCHEMBL9915996 0.62 HSD11B1 (0.42) L3MBTL1GAAALDH1A1MEN1KMT2A
SCHEMBL9926307 0.61 GRIN2D (0.31) ALDH1A1

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-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2012-06-14 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-20120148954-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION COASY, ARCN1, CLTB L3MBTL1 2296/4885CYP1A2 1235/4885CYP2C19 1199/4885

“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.