SCHEMBL19628663

SCHEMBL19628663

CC1CCC2(CC1)C(=O)C1(CCC(C)CC1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.36
PDE7A Q13946 1/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL10485434 0.85 CRBN (0.31) CRBN
SCHEMBL10485439 0.85 CRBN (0.31) CRBN
SCHEMBL633176 0.77 MAPK1 (0.40) CRBNCYP2C9CYP2C19LMNAALDH1A1
SCHEMBL10484761 0.76 HPGD (0.32) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10484751 0.76 HPGD (0.32) ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL10484629 0.76 CRBN (0.35) CRBNPDE7ACYP2C9CYP2C19LMNA
SCHEMBL19628662 0.72 ALDH1A1 (0.39) CYP2C9CYP2C19LMNAALDH1A1HPGD
SCHEMBL10485316 0.70 CRBN (0.36) CRBN
SCHEMBL10485005 0.70 LMNA (0.31) CRBNLMNA
SCHEMBL13687818 0.69 CRBN (0.34) CRBNPDE7ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170334815-A1 CATALYST AND METHOD FOR HYDROGENATION OF 1,3-CYCLOBUTANEDIKETONE COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-11-23 US disclosed
US-20170334815-A1 CATALYST AND METHOD FOR HYDROGENATION OF 1,3-CYCLOBUTANEDIKETONE COMPOUND INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2017-11-23 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-20170334815-A1 CATALYST AND METHOD FOR HYDROGENATION OF 1,3-CYCLOBUTANEDIKETONE COMPOUND CXXC5, ZRANB2, GZMB CRBN 1749/4885PDE7A 2823/4885CYP2C9 1948/4885

“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.