SCHEMBL5529161

SCHEMBL5529161

NC12CCCC(CCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
GRIN1 Q05586 4/20 0.43
GRIN2A Q12879 4/20 0.43
GRIN2D O15399 3/20 0.43
GRIN3B O60391 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN2C Q14957 3/20 0.43
GRIN3A Q8TCU5 3/20 0.43
SLC22A1 O15245 2/20 0.43
NFKB1 P19838 2/20 0.43
SLC22A2 O15244 1/20 0.43
TSHR P16473 1/20 0.43
STAT6 P42226 1/20 0.43
SLC47A1 Q96FL8 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PMP22 Q01453 2/20 0.41
THRB P10828 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7037484 0.97 LMNA (0.41) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL9951776 0.95
SCHEMBL20198526 0.89 LMNA (0.39) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL21656690 0.89 LMNA (0.39) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL31265072 0.88
SCHEMBL301312 0.81
Hydrochloric Acid SCHEMBL23877623 0.79
SCHEMBL20663016 0.77 SLC22A2 (0.30) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL21309681 0.74 GRIN2D (0.37) LMNAGRIN1GRIN2AGRIN2DGRIN3B
SCHEMBL25001468 0.74 GRIN2D (0.37) LMNAGRIN1GRIN2AGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117050256-A Polymerizable composition 华为技术有限公司 2023-11-14 CN claimed
US-20070232838-A1 Alcohol Oxidation Catalyst and Method of Synthesizing the Same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-04 US claimed
EP-1775296-A1 ALCOHOL OXIDATION CATALYST AND METHOD OF SYNTHESIZING THE SAME TOHOKU UNIVERSITY (JP) 2007-04-18 EP claimed
EP-1847545-B1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME UBE INDUSTRIES (JP) 2013-03-06 EP disclosed
EP-1847545-A1 SUBSTITUTED ETHYNYL GOLD-NITROGENATED HETEROCYCLIC CARBENE COMPLEX AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME Ube Industries, Ltd. (JP) 2007-10-24 EP disclosed
US-20070232838-A1 Alcohol Oxidation Catalyst and Method of Synthesizing the Same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-10-04 US disclosed
EP-1775296-A1 ALCOHOL OXIDATION CATALYST AND METHOD OF SYNTHESIZING THE SAME TOHOKU UNIVERSITY (JP) 2007-04-18 EP 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-20070232838-A1 Alcohol Oxidation Catalyst and Method of Synthesizing the Same ADH1A, ADH1C, AOC3 LMNA 2402/4885GRIN1 1048/4885GRIN2A 485/4885

“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.