SCHEMBL3855006

SCHEMBL3855006

CC1(C)CCCN(OC(=O)CCCCCCCCC(=O)ON2CCCC(C)(C)C2(C)C)C1(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NAAA Q02083 2/20 0.32
PAOX Q6QHF9 1/20 0.30
DGKA P23743 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
SCHEMBL9146865 0.91 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL28905521 0.78 USP2 (0.30)
SCHEMBL16146979 0.72 NAAA (0.33) SMN1; SMN2NAAA
SCHEMBL29199165 0.72 TSHR (0.49) SMN1; SMN2ALDH1A1
SCHEMBL15392387 0.71
Sebacic Acid SCHEMBL27841725 0.70 CYP1A2 (0.42) SMN1; SMN2ALDH1A1
SCHEMBL28288158 0.69 NAAA (0.38) SMN1; SMN2ALDH1A1L3MBTL1NAAADGKA
SCHEMBL194968 0.69 NAAA (0.38) SMN1; SMN2ALDH1A1L3MBTL1NAAADGKA
SCHEMBL27703376 0.69 NAAA (0.38) SMN1; SMN2ALDH1A1L3MBTL1NAAADGKA
SCHEMBL15392711 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070102-B1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD BURLINGTON BIO MED & SCIENT (US) 2004-06-16 EP claimed
US-6207290-B1 QUATERNARY AMMONIUM SALT AND ARSENIC COMPOUNDS AND ULTRAVIOLET RADIATION ABSORBERS BURLINGTON BIO-MEDICAL & SCIENTIFIC CORP. 2001-03-27 US claimed
EP-1070102-A1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD Burlington Bio-Medical & Scientific Corp. (US) 2001-01-24 EP claimed
WO-1999051694-A1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD BURLINGTON BIO-MEDICAL & SCIENTIFIC CORP. (US) 1999-10-14 WO claimed
JP-62007752-A None JP disclosed
JP-59019195-A None JP disclosed
US-9018319-B2 Radical-curable hot-melt urethane resin composition and optical molded body DIC CORPORATION (JP) 2015-04-28 US disclosed
US-20140303330-A1 RADICAL-CURABLE HOT-MELT URETHANE RESIN COMPOSITION AND OPTICAL MOLDED BODY DIC CORPORATION (JP) 2014-10-09 US disclosed
US-7582783-B2 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same WHITE FLOWER ASSOCIATES LLP (US) 2009-09-01 US disclosed
US-20070225515-A1 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same WHITE FLOWER ASSOCIATES LLP (US) 2007-09-27 US disclosed
EP-1070102-B1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD BURLINGTON BIO MED & SCIENT (US) 2004-06-16 EP disclosed
US-6207290-B1 QUATERNARY AMMONIUM SALT AND ARSENIC COMPOUNDS AND ULTRAVIOLET RADIATION ABSORBERS BURLINGTON BIO-MEDICAL & SCIENTIFIC CORP. 2001-03-27 US disclosed
EP-1070102-A1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD Burlington Bio-Medical & Scientific Corp. (US) 2001-01-24 EP disclosed
WO-1999051694-A1 ANTIFOULANT COMPOSITIONS AND METHODS OF TREATING WOOD BURLINGTON BIO-MEDICAL & SCIENTIFIC CORP. (US) 1999-10-14 WO disclosed
JP-S627752-A RESIN COMPOSITION DENKI KAGAKU KOGYO KK 1987-01-14 JP disclosed
JP-S5919195-A HEAT SENSITIVE RECORDING MATERIAL SHIN NISSO KAKO CO LTD 1984-01-31 JP 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-20070225515-A1 Analgesics, anaesthetics, antifoulants, aversants, irritants, incapacitants and compositions containing the same ACHE, BCHE, TRPA1 SMN1; SMN2 671/4885ALDH1A1 1031/4885L3MBTL1 141/4885

“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.