SCHEMBL9250191

SCHEMBL9250191

CCCCCCCCN1CCOC1=O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
KDM4E B2RXH2 1/20 0.44
GBA1 P04062 1/20 0.41
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 3/20 0.40
ALOX5 P09917 2/20 0.40
FAAH O00519 2/20 0.40
PIK3CD O00329 1/20 0.40
NR1H2 P55055 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL14184720 1.00 NAAA (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL8512828 1.00 NAAA (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL419534 1.00 NAAA (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL27992732 1.00 NAAA (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL4860823 1.00 NAAA (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL31308 0.98 NAAA (0.51) NAAAKDM4EGBA1PTGS1PTGS2
Hydrogen Sulfide SCHEMBL28268418 0.96 NAAA (0.50) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL4573839 0.92 NAAA (0.49) NAAAKDM4EPIK3CDNR1H2ALDH1A1
SCHEMBL8516440 0.87 PIK3CD (0.54) NAAAKDM4EGBA1PTGS1PTGS2
SCHEMBL8157101 0.87 FAAH (0.47) NAAAKDM4EMGLLFAAHNR1H2

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-20220061324-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-03 US disclosed
CN-112105341-A A method for treating and/or preventing damaged keratin 彼得·西夫勒 2020-12-18 CN disclosed
WO-1995015686-A1 USE OF CARBAMIDE ACID ESTERS AS CRYSTALLISATION INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1995-06-15 WO 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-20220061324-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, ACHE, AADAC NAAA 280/4885KDM4E 2316/4885GBA1 376/4885

“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.