SCHEMBL9916040

SCHEMBL9916040

CCC(C)C(=O)N1C(=O)C2COCC21

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.32
EPHX2 P34913 7/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
RIPK1 Q13546 1/20 0.31
DPP4 P27487 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
SCHEMBL9916027 0.80 EPHX2 (0.46) ACEEPHX2CHRNB4CHRNA3
SCHEMBL9916029 0.80 EPHX2 (0.42) ACEEPHX2CHRNB4CHRNA3
SCHEMBL9916026 0.78 EPHX2 (0.48) ACEEPHX2CHRNB4CHRNA3
SCHEMBL9916038 0.78 EPHX2 (0.48) ACEEPHX2CHRNB4CHRNA3
SCHEMBL9916035 0.73 RIPK1 (0.43) RIPK1
SCHEMBL9915945 0.70
SCHEMBL9915944 0.68
SCHEMBL9916052 0.66
SCHEMBL9917062 0.65
SCHEMBL9916044 0.64 ACE (0.31) ACEEPHX2

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 ACE 4249/4885EPHX2 4538/4885CHRNB4 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.