SCHEMBL9916029

SCHEMBL9916029

CCC(C)C(=O)N1C(=O)C2CCCC21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.42
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
ACE P12821 2/20 0.37
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
EPHX1 P07099 1/20 0.32

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 0.97 EPHX2 (0.46) EPHX2CHRNB4CHRNA3ACETSHR
SCHEMBL9916026 0.95 EPHX2 (0.48) EPHX2CHRNB4CHRNA3ACETSHR
SCHEMBL9916038 0.95 EPHX2 (0.48) EPHX2CHRNB4CHRNA3ACETSHR
SCHEMBL9916040 0.80 ACE (0.32) EPHX2CHRNB4CHRNA3ACE
SCHEMBL15460036 0.77 EPHX2 (0.39) EPHX2CHRNB4CHRNA3TSHRCHRM4
SCHEMBL10645059 0.74 CREBBP (0.40) CHRM2CHRM4CHRM1CHRM3
SCHEMBL15981161 0.74 EPHX2 (0.39) EPHX2RAB9A
SCHEMBL9916039 0.73 FKBP1A (0.36)
SCHEMBL9916028 0.72 RIPK1 (0.44)
SCHEMBL9916032 0.72 EPHX2 (0.34) EPHX2CHRNB4CHRNA3ACESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 US disclosed
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 (2 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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SLC6A9, SLC6A5, REN EPHX2 2614/4885CHRNB4 4820/4885CHRNA3 4819/4885
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.