SCHEMBL9916038

SCHEMBL9916038

CCC(C)C(=O)N1C(=O)C2CCCCCCC21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.48
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
TSHR P16473 2/20 0.37
EPHX1 P07099 1/20 0.37
ACE P12821 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 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
SCHEMBL9916026 1.00 EPHX2 (0.48) EPHX2CHRNB4CHRNA3TSHREPHX1
SCHEMBL9916027 0.98 EPHX2 (0.46) EPHX2CHRNB4CHRNA3TSHREPHX1
SCHEMBL9916029 0.95 EPHX2 (0.42) EPHX2CHRNB4CHRNA3TSHREPHX1
SCHEMBL15460036 0.82 EPHX2 (0.39) EPHX2CHRNB4CHRNA3TSHREPHX1
SCHEMBL9916040 0.78 ACE (0.32) EPHX2CHRNB4CHRNA3ACE
SCHEMBL15981161 0.76 EPHX2 (0.39) EPHX2RAB9AGAA
SCHEMBL9916031 0.73 RIPK1 (0.43) GAA
SCHEMBL9916024 0.73 RIPK1 (0.43) GAA
SCHEMBL9916037 0.72 CCR2 (0.34) ALDH1A1
SCHEMBL14060457 0.71 POLB (0.36) CYP2C9CYP2C19ALDH1A1NPC1RAB9A

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 4538/4885CHRNB4 4097/4885CHRNA3 3630/4885

“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.