Sugi Predict

Sugi Predict / Compounds / SCHEMBL3080119

SCHEMBL3080119

SCHEMBL3080119

CCCCCCCCCCCCC1CC(=O)N(C2CCC(C)(C)N(C)C2(C)C)C1=O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 15/20 0.32
▸ PPARG P37231 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CYP1A2 P05177 3/20 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
SCHEMBL9524915 0.84 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1
SCHEMBL3798470 0.78 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
SCHEMBL27560805 0.78 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
SCHEMBL38982 0.78 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
SCHEMBL3224833 0.78 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
Hexadecane SCHEMBL28128441 0.78 CYP3A4 (0.33) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
SCHEMBL5616789 0.76 CHRNB4 (0.33) ALDH1A1L3MBTL1CYP1A2
SCHEMBL316918 0.74 PPARG (0.34) CYP19A1PPARGALDH1A1L3MBTL1CYP1A2
SCHEMBL28128514 0.74 GNAO1 (0.33) CYP19A1ALDH1A1L3MBTL1
SCHEMBL5567480 0.73 CYP19A1 (0.31) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620500-B1 PHOTO-CURED AND STABILIZED COATINGS BASF SE (DE) 2012-07-11 — — EP disclosed
US-7790793-B2 Amide nucleating agent compositions CIBA SPECIALTY CHEM. CORP. (US) 2010-09-07 — — US disclosed
EP-2016129-A1 POLYMER ARTICLE MODIFIED WITH A METAL CATION CONTAINING COMPOUND Ciba Holding Inc. (CH) 2009-01-21 — — EP disclosed
WO-2007131919-A1 POLYMER ARTICLE MODIFIED WITH A METAL CATION CONTAINING COMPOUND CIBA HOLDING INC. (CH) 2007-11-22 — — WO disclosed
US-20070149663-A1 Resin compositions CIBA SPECIALTY CHEMICALS CORP. 2007-06-28 — — US disclosed
EP-1756211-A1 POLYSTYRENE CONTAINING MASTERBATCH COMPOSITION FOR POLYESTER MODIFICATION Ciba Specialty Chemicals Holding Inc. (CH) 2007-02-28 — — EP disclosed
US-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers SCHAEFER THOMAS 2006-11-09 — — US disclosed
WO-2005123820-A1 POLYSTYRENE CONTAINING MASTERBATCH COMPOSITION FOR POLYESTER MODIFICATION CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 — — WO disclosed
US-6525158-B1 Preventing thermooxidative degradation; such as octadecyl ester of beta-(3,5-di-tert-butyl-4-hydroxyphenyl)propionic acid, tris-(2,4-di-tert-butylphenyl)phosphite and calcium oxide CIBA SPECIALTY CHEMICALS CORPORATION 2003-02-25 — — US disclosed
US-6380286-B1 FOR STABILIZING AN ORGANIC MATERIAL WHICH IS SENSITIVE TO OXIDATIVE, THERMAL OR LIGHT-INDUCED DEGRADATION CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-30 — — 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-20060252857-A1 Aminoaryl-1-3-5-triazines and their use as uv absorbers IK, CRY2, CRY1 CYP19A1 1009/4885PPARG 3912/4885ALDH1A1 482/4885

“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.