SCHEMBL135641

SCHEMBL135641

C=C(C)C(=O)NCCC.CCCCNCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.50
EPHX1 P07099 5/20 0.42
ACHE P22303 1/20 0.41
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MMP2 P08253 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
PLA2G2A P14555 1/20 0.36
GAA P10253 1/20 0.36
EPHX2 P34913 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.35
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP9 P14780 1/20 0.35
S1PR2 O95136 2/20 0.35
S1PR4 O95977 2/20 0.35
S1PR1 P21453 2/20 0.35

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
Dipentylamine SCHEMBL8604792 0.94 PAOX (0.53) PAOXEPHX1TSHRALDH1A1PLA2G2A
SCHEMBL2828095 0.94 PAOX (0.52) PAOXEPHX1ACHETSHRALDH1A1
SCHEMBL2828036 0.93 EPHX1 (0.53) PAOXEPHX1TSHRALDH1A1PLA2G2A
SCHEMBL2832070 0.93 EPHX1 (0.53) PAOXEPHX1TSHRALDH1A1PLA2G2A
SCHEMBL522678 0.92 PAOX (0.46) PAOXEPHX1ACHETSHRALDH1A1
SCHEMBL2556382 0.92 PAOX (0.50) PAOXEPHX1ACHETSHRALDH1A1
SCHEMBL10423555 0.92 PAOX (0.55) PAOXEPHX1ACHEMMP2CYP1A2
SCHEMBL3280464 0.92 PAOX (0.55) PAOXEPHX1ACHETSHRALDH1A1
Diethylamine SCHEMBL7805717 0.89 EPHX1 (0.44) PAOXEPHX1ACHETSHRMMP2
SCHEMBL3278941 0.89 PAOX (0.60) PAOXEPHX1ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-09-14 US claimed
EP-2217827-B1 SUSPENSION SYSTEM FOR AIRCRAFT AUXILIARY POWER UNIT WITH ELASTOMERIC MEMBER LORD CORP (US) 2020-06-03 EP disclosed
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-09-14 US disclosed
EP-2512413-B1 POLYMERIC COMPOSITIONS COMPRISING A POLYALKYL(METH)ACRYLATE REPEATING UNIT FOR PERSONAL CARE PRODUCTS EVONIK DEGUSSA GMBH (DE) 2017-09-13 EP disclosed
US-20170224604-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME EVONIK DEGUSSA GMBH (DE) 2017-08-10 US disclosed
CN-105640798-A Ionic/ionogenic comb copolymer compositions and personal care products containing same 气体产品与化学公司 2016-06-08 CN disclosed
CN-103717628-B Ionic/ionogenic comb copolymer compositions and personal care products containing the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-02-03 CN disclosed
US-9233063-B2 Polymeric compositions for personal care products AIR PRODUCTS AND CHEMICALS, INC. (US) 2016-01-12 US disclosed
EP-2739659-B1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME AIR PROD & CHEM (US) 2015-06-17 EP disclosed
EP-2739659-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME Air Products and Chemicals, Inc. (US) 2014-06-11 EP disclosed
US-20030152790-A1 Room temperature curable functionalized HNBR coating LORD CORPORATION 2003-08-14 US disclosed
EP-0882738-B1 DIENE RUBBER, PROCESS FOR PRODUCING THE RUBBER AND RUBBER COMPOSITION CONTAINING THE SAME ZEON CORP (JP) 2002-11-20 EP disclosed
US-20020120086-A1 Quaternary polymers with functional amine groups field of the invention BAYER AKTIENGESELLSCHAFT (DE) 2002-08-29 US disclosed
EP-0849321-B1 DIENE RUBBER COMPOSITION ZEON CORP (JP) 2002-03-20 EP disclosed
US-6342559-B1 COPOLYMERS WITH ACRYLIC ESTERS, ACRYLAMIDE DERIVATIVES, HYDROXYALKYL(METH)ACRYLATES WITH DIENE AND STYRENE TERPOLYMERS (METH)ACRYLATE MODIFIED WITH TERTIARY ALKYL THIOL; FRICTION RESISTANT TIRE TREADS ZEON CORPORATION (JP) 2002-01-29 US disclosed
EP-1081162-A1 CONJUGATED DIENE RUBBER, PROCESS FOR PRODUCING THE SAME, AND RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 2001-03-07 EP disclosed
US-6147178-A RUBBER COMPRISING DIENE-VINYL AROMATIC COPOLYMER BEARING QUATERNARY AMMONIUM GROUPS; TENSILE STRENGTH, WEAR RESISTANCE, HEAT RESISTANCE, IMPROVED AFFINITY FOR SILICA REINFORCEMENT NIPPON ZEON CO., LTD. (JP) 2000-11-14 US disclosed
US-6013737-A HAVING IMPROVED TENSILE MODULUS AND IMPROVED ABRASION RESISTANCE, COMPRISING AN AMINO GROUP-CONTAINING DIENE RUBBER OF GIVEN MOONEY VISCOSITY, AND SILICA HAVING SPECIFIC SURFACE AREA, A VULCANIZER AND VULCANIZATION ACCELERATOR NIPPON ZEON CO., LTD. (JP) 2000-01-11 US disclosed
EP-0882738-A1 DIENE RUBBER, PROCESS FOR PRODUCING THE RUBBER AND RUBBER COMPOSITION CONTAINING THE SAME NIPPON ZEON CO., LTD. (JP) 1998-12-09 EP disclosed
EP-0849321-A1 DIENE RUBBER COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-06-24 EP 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-20170224604-A1 CATIONIC/CATIONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME C9, CUTA, ZYX PAOX 94/4885EPHX1 2167/4885ACHE 1869/4885
US-20170258703-A1 IONIC/IONOGENIC COMB COPOLYMER COMPOSITIONS AND PERSONAL CARE PRODUCTS CONTAINING THE SAME C9, CUTA, ZYX PAOX 105/4885EPHX1 1627/4885ACHE 1057/4885

“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.