SCHEMBL4139680

SCHEMBL4139680

CCC(CC)(CC(N)=O)C(N)=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
OR51E2 Q9H255 1/20 0.32
ALOX15 P16050 2/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 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
SCHEMBL2036937 0.83 ALOX15 (0.36) ALDH1A1LMNATDP1OR51E2ALOX15
SCHEMBL3833063 0.82 MEN1 (0.35) ALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL3351984 0.80 FDPS (0.38) LMNAHSD17B10
SCHEMBL1032664 0.77 FDPS (0.42) TP53CYP1A2CYP3A4CYP2C19
SCHEMBL7511555 0.76 CYP4F2 (0.33) LMNAALOX15BLMPMP22
SCHEMBL16163571 0.76 CYP4F2 (0.33) LMNAALOX15BLMPMP22
SCHEMBL6234395 0.76 ALOX15 (0.38) LMNAALOX15KDM4ECYP1A2BLM
SCHEMBL2294520 0.75 MEN1 (0.34) ALDH1A1KDM4ETP53CYP1A2CYP3A4
SCHEMBL20510149 0.74 LMNA (0.40) ALDH1A1LMNATDP1ALOX15CYP1A2
SCHEMBL4658767 0.74 LMNA (0.40) ALDH1A1LMNATDP1ALOX15CYP1A2

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
CN-108699032-B Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2022-07-22 CN disclosed
CN-113603675-A Polycyclic TLR7/8 antagonists and their use in the treatment of immune disorders 默克专利有限公司 2021-11-05 CN disclosed
CN-111071993-B Working solution solvent system 中国石油化工股份有限公司 2021-06-04 CN disclosed
CN-111071993-A Working solution solvent system 中国石油化工股份有限公司 2020-04-28 CN disclosed
US-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES BASF SE (DE) 2009-05-21 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-20090131657-A1 PROCESS FOR ALKENYLATING CARBOXAMIDES PRMT5, CYC1, CBR3 ALDH1A1 1506/4885LMNA 2037/4885TDP1 2519/4885

“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.