SCHEMBL615106

SCHEMBL615106

C#CC(C)(O)c1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KCNN4 O15554 5/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ACHE P22303 1/20 0.34
KCNE1 P15382 1/20 0.34

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
SCHEMBL8583526 0.78 KCNN4 (0.42) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL24826099 0.78 KCNN4 (0.42) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL17267041 0.78 KCNN4 (0.42) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL28390802 0.77 HTR2A (0.41) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL18674881 0.76 KCNN4 (0.41) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL7206142 0.76 PDK1 (0.42) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL3378382 0.75 CYP3A4 (0.36) ALDH1A1TSHRTDP1MAPTCA2
SCHEMBL11590978 0.74 NPC1 (0.43) NPC1PKMRAB9APDK2HSD11B1
SCHEMBL17080367 0.74 KCNN4 (0.40) KCNN4ALDH1A1TSHRTDP1PDK1
SCHEMBL8716679 0.74 KCNN4 (0.44) KCNN4ALDH1A1TSHRTDP1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814462-B2 Functionalized cyclic polymers and methods of preparing same UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-11-14 US disclosed
US-20220056167-A1 Functionalized Cyclic Polymers and Methods of Preparing Same NATIONAL SCIENCE FOUNDATION 2022-02-24 US disclosed
WO-2020223672-A1 FUNCTIONALIZED CYCLIC POLYMERS AND METHODS OF PREPARING SAME UNIVERSITY OF FLORIDA RESEARCHFOUNDATION, INC. (US) 2020-11-05 WO disclosed
EP-2943722-B1 PROTECTIVE COATING FOR LED LAMP CREE INC (US) 2019-08-28 EP disclosed
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ISP INVESTMENTS LLC (US) 2018-10-09 US disclosed
EP-2405757-B1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC (US) 2017-11-08 EP disclosed
US-9675606-B2 2-amino-3-(imidazol-2-yl)-pyridin-4-one derivatives and their use as VEGF receptor kinase inhibitors SANOFI (FR) 2017-06-13 US disclosed
US-9570661-B2 Protective coating for LED lamp CREE, INC. (US) 2017-02-14 US disclosed
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2016-03-24 US disclosed
US-20150328205-A1 2-AMINO-3-(IMIDAZOL-2-YL)-PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS VEGF RECEPTOR KINASE INHIBITORS SANOFI (FR) 2015-11-19 US disclosed
WO-2013120980-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR F. HOFFMANN-LA ROCHE AG (CH) 2013-08-22 WO disclosed
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR GENENTECH, INC. (US) 2013-08-22 US disclosed
WO-2012159959-A1 2-AMINO-3-(IMIDAZOL-2-YL)-PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS VEGF RECEPTOR KINASE INHIBITORS SANOFI (FR) 2012-11-29 WO disclosed
EP-2524915-A1 2-Amino-3-(imidazol-2-yl)-pyridin-4-one derivatives and their use as VEGF receptor kinase inhibitors SANOFI (FR) 2012-11-21 EP disclosed
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF AVOCA LLC 2012-06-07 US disclosed
EP-2451286-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-05-16 EP disclosed
US-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2012-02-16 US disclosed
EP-2405757-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF Isp Investments Inc. (US) 2012-01-18 EP disclosed
WO-2011005806-A1 4- AND 5 SUBSTITUTED 1,2,3- TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2011-01-13 WO disclosed
WO-2010104837-A1 FUNCTIONALIZED 4-AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1,2,3-TRIAZOLES VIA 1,3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ISP INVESTMENTS INC. (US) 2010-09-16 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 (6 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-20120041040-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3-DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C NPC1 4758/4885PKM 2998/4885RAB9A 3993/4885
US-20150328205-A1 2-AMINO-3-(IMIDAZOL-2-YL)-PYRIDIN-4-ONE DERIVATIVES AND THEIR USE AS VEGF RECEPTOR KINASE INHIBITORS KDR, FLT4, FLT1 NPC1 3046/4885PKM 670/4885RAB9A 2079/4885
US-10093633-B2 Functionalized 4- and 5-vinyl substituted regioisomers of 1, 2, 3-triazoles via 1, 3-dipolar cycloaddition and polymers thereof ADH5, ADH1A, ADH1C NPC1 4758/4885PKM 2998/4885RAB9A 3993/4885
US-20130217666-A1 TRICYCLIC COMPOUNDS AND METHODS OF USE THEREFOR NFKB1, NFKBIA, RELA NPC1 464/4885PKM 1308/4885RAB9A 3232/4885
US-20120142846-A1 4- AND 5 SUBSTITUTED 1,2,3-TRIAZOLE MOIETIES WITH AT LEAST ONE REMOTE POLYMERIZABLE MOIETY AND POLYMERS THEREOF H1-4, NPY4R, RXFP4 NPC1 4670/4885PKM 2141/4885RAB9A 2828/4885
US-20160083356-A1 FUNCTIONALIZED 4- AND 5-VINYL SUBSTITUTED REGIOISOMERS OF 1, 2, 3-TRIAZOLES VIA 1, 3- DIPOLAR CYCLOADDITION AND POLYMERS THEREOF ADH5, ADH1A, ADH1C NPC1 4758/4885PKM 2998/4885RAB9A 3993/4885

“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.