SCHEMBL1123428

SCHEMBL1123428

CC1(CN=C=O)CCCC(C)(N=C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 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
SCHEMBL2869397 0.85 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL1081188 0.80 ALDH1A1 (0.51) ALDH1A1CYP3A4
SCHEMBL9236444 0.79
SCHEMBL1123182 0.78 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL661926 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL1712651 0.76 ALDH1A1 (0.47) ALDH1A1CYP3A4
SCHEMBL7097982 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL14639904 0.75 ALDH1A1 (0.44) ALDH1A1CYP3A4
SCHEMBL10458064 0.74
SCHEMBL28786176 0.73 ALDH1A1 (0.45) ALDH1A1CYP3A4

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 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
EP-1985672-B1 Phase Change Ink Compositions XEROX CORP (US) 2011-02-09 EP claimed
US-7811370-B2 Phase change ink compositions XEROX CORPORATION (US) 2010-10-12 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
EP-2207525-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT METHOD L'Oréal (FR) 2010-07-21 EP claimed
WO-2009053594-A2 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT METHOD L'OREAL (FR) 2009-04-30 WO claimed
US-20080264288-A1 Phase change ink compositions XEROX CORPORATION. 2008-10-30 US claimed
EP-1985672-A1 Phase Change Ink Compositions Xerox Corporation (US) 2008-10-29 EP claimed
US-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment L'OREAL S.A. (FR) 2007-08-16 US claimed
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 EP claimed
EP-2267062-B1 SUPRAMOLECULAR POLYMERS CONTAINING QUADRUPLE HYDROGEN BONDING UNITS IN THE POLYMER BACKBONE SUPRAPOLIX BV (NL) 2017-10-25 EP disclosed
US-9790394-B2 Floor coating compositions containing supramolecular polymers ROHM AND HAAS COMPANY (US) 2017-10-17 US disclosed
EP-1773903-B1 SUPRAMOLECULAR IONOMERS SUPRAPOLIX BV (NL) 2017-08-09 EP disclosed
EP-3016996-B1 FLOOR COATING COMPOSITIONS CONTAINING SUPRAMOLECULAR POLYMERS ROHM & HAAS (US) 2017-06-14 EP disclosed
US-9561165-B2 Cosmetic treatment processes and kit L'OREAL (FR) 2017-02-07 US disclosed
EP-1038902-A1 Condensation polymers containing dialkylamide endgroups, process for their production and applications thereof DSM N.V. (NL) 2000-09-27 EP disclosed
EP-1031589-A1 Supramolecular compound DSM N.V. (NL) 2000-08-30 EP disclosed
EP-0912500-A1 CATALYST FOR THE REACTION BETWEEN A COMPOUND THAT CAN REACT WITH ISOCYANATE GROUPS AND AN ALIPHATIC DIISOCYANATE WITH ONE ISOCYANATE GROUP BOUND TO A PRIMARY CARBON ATOM AND ONE ISOCYANATE GROUP BOUND TO A TERTIARY CARBON ATOM DSM N.V. (NL) 1999-05-06 EP disclosed
WO-1998052995-A1 METHOD FOR THE PRODUCTION OF A BRANCHED MACROMOLECULE, THE BRANCHED MACROMOLECULE AND USES THEREOF DSM N.V. (NL) 1998-11-26 WO disclosed
WO-1997046517-A1 CATALYST FOR THE REACTION BETWEEN A COMPOUND THAT CAN REACT WITH ISOCYANATE GROUPS AND AN ALIPHATIC DIISOCYANATE WITH ONE ISOCYANATE GROUP BOUND TO A PRIMARY CARBON ATOM AND ONE ISOCYANATE GROUP BOUND TO A TERTIARY CARBON ATOM DSM N.V. (NL) 1997-12-11 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 (2 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-20070189991-A1 Cosmetic compositon comprising a (Thio)urethane/ (thio)urea copolymer capable of forming at least 3 hydrogen bonds, and a method of cosmetic treatment KRT18, TST, CTH ALDH1A1 2134/4885CYP3A4 2749/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 ALDH1A1 1901/4885CYP3A4 4568/4885

“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.