SCHEMBL4740245

SCHEMBL4740245

CCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCCCCCCCCC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.65
▸ CHRNB4 P30926 1/20 0.65
▸ CHRNA3 P32297 1/20 0.65
▸ CHRNA4 P43681 1/20 0.65
▸ PTPN1 P18031 2/20 0.65
▸ GRIA1 P42261 1/20 0.64
▸ PSMB5 P28074 2/20 0.64
▸ FAAH O00519 2/20 0.59
▸ CHRND Q07001 6/20 0.58
▸ CHRNA1 P02708 2/20 0.58
▸ CHRNG P07510 2/20 0.58
▸ CHRNB1 P11230 2/20 0.58

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
SCHEMBL21356921 1.00 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL21356920 1.00 CHRNB2 (0.65) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL6438848 0.96 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL9519035 0.96 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL23086284 0.94 PTPN1 (0.68) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL16247369 0.94 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL12324830 0.94 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL988166 0.90 CHRNB2 (0.77) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL5817448 0.90 FAAH (0.71) CHRNB2CHRNB4CHRNA3CHRNA4PTPN1
SCHEMBL21346955 0.89 GRIA1 (0.74) GRIA1CHRNDCHRNA1CHRNGCHRNB1

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
EP-3454663-B1 LOW MOLECULAR WEIGHT ORGANIC GELATORS OF VEGETABLE OIL RUDJER BOSKOVIC INST (HR) 2024-12-11 — — EP disclosed
US-20190281853-A1 LOW MOLECULAR WEIGHT ORGANIC GELATORS OF VEGETABLE OIL RUDJER BOSKOVIC INSTITUTE (HR) 2019-09-19 — — US disclosed
WO-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — 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-20190281853-A1 LOW MOLECULAR WEIGHT ORGANIC GELATORS OF VEGETABLE OIL ACP1, ELOVL1, ELOVL3 CHRNB2 4642/4885CHRNB4 4796/4885CHRNA3 4344/4885

“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.

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