SCHEMBL29317699

SCHEMBL29317699

CC(C)(C)C(=O)N1CCC2(CC1)CC(C(C)(C)C)C2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.39
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD11B1 P28845 2/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
OPRD1 P41143 1/20 0.32
RIPK1 Q13546 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
GPR119 Q8TDV5 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
SCHEMBL29317721 0.88 EPHX2 (0.36) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL29334537 0.86 DPP4 (0.34) HSD11B1CYP2D6KCNH2HRH3CHRM2
SCHEMBL29317714 0.84 CYP2D6 (0.44) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL29324699 0.84 EPHX2 (0.45) EPHX2CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL18701964 0.82 EPHX2 (0.41) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL18701880 0.81 EPHX2 (0.43) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL29324707 0.79 CYP2D6 (0.37) EPHX2ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL25904177 0.79 CYP3A4 (0.37) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL23945977 0.78 CYP3A4 (0.36) EPHX2CYP3A4ALDH1A1HTTMEN1
SCHEMBL29317718 0.78 HSD11B1 (0.43) EPHX2CYP3A4HSD11B1CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF ASIA VISION LIMITED (CN) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 US disclosed
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders PFIZER INC. (US) 2024-07-18 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-20240239792-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF BCL2, BCL2L2, BCL2L1 EPHX2 3537/4885CYP3A4 4350/4885ALDH1A1 3682/4885
US-20240238425-A1 HSD17B13 Inhibitors and/or Degraders HSD17B13, HSD17B3, HSD17B1 EPHX2 949/4885CYP3A4 75/4885ALDH1A1 98/4885

“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.