SCHEMBL6314393

SCHEMBL6314393

CC(NCCN)C(=O)O.[NaH]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.48
GGT1 P19440 1/20 0.44
MME P08473 1/20 0.38
CPB2 Q96IY4 4/20 0.37
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CPB1 P15086 1/20 0.34
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL164972 0.98
SCHEMBL15453401 0.98
SCHEMBL601790 0.98
SCHEMBL29941227 0.95 GABRR1 (0.48) GABRR1GGT1MMECPB2ALDH1A1
Hydrochloric Acid SCHEMBL29390190 0.95 GABRR1 (0.48) GABRR1GGT1MMECPB2ALDH1A1
Magnesium SCHEMBL30922377 0.93 GABRR1 (0.46) GABRR1GGT1MMECPB2ALDH1A1
SCHEMBL30922373 0.93 GABRR1 (0.46) GABRR1GGT1MMECPB2ALDH1A1
SCHEMBL30922372 0.93 GABRR1 (0.46) GABRR1GGT1MMECPB2ALDH1A1
SCHEMBL28523225 0.86 GABRR1 (0.41) GABRR1GGT1MMECPB2ALDH1A1
SCHEMBL28523224 0.86 GABRR1 (0.41) GABRR1GGT1MMECPB2ALDH1A1

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
CN-117756159-A Method for preparing layered calcium sulfate by using phosphogypsum 贵州省材料产业技术研究院 2024-03-26 CN claimed
CN-117756159-A Method for preparing layered calcium sulfate by using phosphogypsum 贵州省材料产业技术研究院 2024-03-26 CN disclosed
CN-115058000-A Flame-retardant polyester diol and flame-retardant waterborne polyurethane 江苏景宏新材料科技有限公司 2022-09-16 CN disclosed
US-20050058619-A1 Polyether-modified polymers as leather auxiliaries LANXESS DEUTSCHLAND GMBH (DE) 2005-03-17 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-20050058619-A1 Polyether-modified polymers as leather auxiliaries PUF60, B2M, CBR3 GABRR1 2666/4885GGT1 2616/4885MME 1660/4885

“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.