SCHEMBL9916032

SCHEMBL9916032

CCC(C)C(=O)N1C(=O)C2C3CC(C4CCCC43)C21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.34
ACE P12821 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
MEN1 O00255 1/20 0.31
NPBWR1 P48145 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL9916030 0.76 SMN1; SMN2 (0.38) EPHX2ACEMEN1KMT2ASMN1; SMN2
SCHEMBL9916036 0.76 RIPK1 (0.39) MEN1NPBWR1KMT2A
SCHEMBL12015355 0.74 MEN1 (0.31) MEN1NPBWR1KMT2A
SCHEMBL9915940 0.73 MEN1 (0.30) MEN1NPBWR1KMT2A
SCHEMBL10329829 0.73 RIPK1 (0.39) MEN1NPBWR1KMT2A
SCHEMBL9916029 0.72 EPHX2 (0.42) EPHX2ACECHRNB4CHRNA3SMN1; SMN2
SCHEMBL9915943 0.71
SCHEMBL9916027 0.69 EPHX2 (0.46) EPHX2ACECHRNB4CHRNA3KMT2A
SCHEMBL9916994 0.68 F2 (0.34)
SCHEMBL9916044 0.68 ACE (0.31) EPHX2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859183-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-10-14 US disclosed
US-8753794-B2 N-acyl-β-lactam derivative, macromolecular compound, and photoresist composition KURARAY CO., LTD. (JP) 2014-06-17 US disclosed
US-20140038106-A1 N-ACYL-B-LACTAM DERIVATIVE, MACROMOLECULAR COMPOUND, AND PHOTORESIST COMPOSITION KURARAY CO., LTD. (JP) 2014-02-06 US disclosed
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 EPHX2 4538/4885ACE 4249/4885CHRNB4 4097/4885

“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.